C.I.油性红122

[2-[(1,3-Benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoate;[2-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;[2-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoate · CAS 12227-55-3

中文名: C.I.油性红122
中文别名: 暂无
英文名: [2-[(1,3-Benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoate;[2-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;[2-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoate
CAS: 12227-55-3
CID: 168266239
IUPAC 名称: [2-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoate;[2-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;[2-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoate

名称与编号

中文名: C.I.油性红122
中文别名: 暂无
英文名: [2-[(1,3-Benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoate;[2-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;[2-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoate
CAS: 12227-55-3
CID: 168266239
IUPAC 名称: [2-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoate;[2-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoate;[2-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoate

分子属性

分子式: C147H135N9O43S3
分子量: 2811.9 g/mol
精确质量: 2810.7849423 Da
单同位素质量: 2809.7815875 Da
XLogP: 暂无
极性表面积: 727 Å²
氢键供体: 3
氢键受体: 55
可旋转键: 96
重原子数: 202
净电荷: 0
结构复杂度: 5010

结构标识

InChIKey: YYYXERUREOLZIG-UHFFFAOYSA-N
SMILES: C=CC(=O)OCCCCOCC(COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)OCOC(=O)C=C)C=NNC4=NC5=CC=CC=C5S4)OC(=O)CCOC(=O)C=C.C=CC(=O)OCCCCOCC(COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCOC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)OCOC(=O)C=C)C=NNC5=NC6=CC=CC=C6S5)OC(=O)C=C.C=CC(=O)OCCCCOCC(COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)OCOC(=O)C=C)C=NNC4=NC5=CC=CC=C5S4)OC(=O)C=C
InChI: InChI=1S/C54H49N3O15S.C48H45N3O15S.C45H41N3O13S/c1-4-48(58)65-29-10-9-28-64-33-44(70-50(60)6-3)34-67-41-20-14-39(15-21-41)53(63)72-46-26-13-36(31-40(46)32-55-57-54-56-45-11-7-8-12-47(45)73-54)27-30-66-51(61)37-18-24-43(25-19-37)71-52(62)38-16-22-42(23-17-38)68-35-69-49(59)5-2;1-4-42(52)59-25-10-9-24-58-29-38(64-45(55)23-26-60-43(53)5-2)30-61-35-17-13-33(14-18-35)47(57)66-40-22-21-37(27-34(40)28-49-51-48-50-39-11-7-8-12-41(39)67-48)65-46(56)32-15-19-36(20-16-32)62-31-63-44(54)6-3;1-4-40(49)55-24-10-9-23-54-27-36(59-42(51)6-3)28-56-33-17-13-31(14-18-33)44(53)61-38-22-21-35(25-32(38)26-46-48-45-47-37-11-7-8-12-39(37)62-45)60-43(52)30-15-19-34(20-16-30)57-29-58-41(50)5-2/h4-8,11-26,31-32,44H,1-3,9-10,27-30,33-35H2,(H,56,57);4-8,11-22,27-28,38H,1-3,9-10,23-26,29-31H2,(H,50,51);4-8,11-22,25-26,36H,1-3,9-10,23-24,27-29H2,(H,47,48)