7,7'-(羰二亚氨基)二[4-羟基-3-[(6- 磺基-2-萘基)偶氮]-2-萘磺酸]与三乙 醇胺的化合物
7,7'-(Carbonyldiimino)bis(4-hydroxy-3-((6-sulpho-2-naphthyl)azo)naphthalene-2-sulphonic) acid, compound with 2,2',2''-nitrilotriethanol (1:4) · CAS 36596-36-8
- 中文名
- 7,7'-(羰二亚氨基)二[4-羟基-3-[(6- 磺基-2-萘基)偶氮]-2-萘磺酸]与三乙 醇胺的化合物
- 中文别名
- 暂无
- 英文名
- 7,7'-(Carbonyldiimino)bis(4-hydroxy-3-((6-sulpho-2-naphthyl)azo)naphthalene-2-sulphonic) acid, compound with 2,2',2''-nitrilotriethanol (1:4)
- CAS
- 36596-36-8
- CID
- 169791
- IUPAC 名称
- tetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);4-hydroxy-7-[[5-hydroxy-7-sulfo-6-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalen-2-yl]carbamoylamino]-3-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
名称与编号
- 中文名
- 7,7'-(羰二亚氨基)二[4-羟基-3-[(6- 磺基-2-萘基)偶氮]-2-萘磺酸]与三乙 醇胺的化合物
- 中文别名
- 暂无
- 英文名
- 7,7'-(Carbonyldiimino)bis(4-hydroxy-3-((6-sulpho-2-naphthyl)azo)naphthalene-2-sulphonic) acid, compound with 2,2',2''-nitrilotriethanol (1:4)
- CAS
- 36596-36-8
- CID
- 169791
- IUPAC 名称
- tetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);4-hydroxy-7-[[5-hydroxy-7-sulfo-6-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalen-2-yl]carbamoylamino]-3-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
分子属性
- 分子式
- C65H88N10O27S4
- 分子量
- 1569.7 g/mol
- 精确质量
- 1568.4703223 Da
- 单同位素质量
- 1568.4703223 Da
- XLogP
- 暂无
- 极性表面积
- 638 Ų
- 氢键供体
- 20
- 氢键受体
- 35
- 可旋转键
- 34
- 重原子数
- 106
- 净电荷
- 0
- 结构复杂度
- 2170
结构标识
- InChIKey
- CVSSYCFCPBKGIA-UHFFFAOYSA-N
- SMILES
- C1=CC2=C(C(=C(C=C2C=C1NC(=O)NC3=CC4=CC(=C(C(=C4C=C3)O)N=NC5=CC6=C(C=C5)C=C(C=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N=NC7=CC8=C(C=C7)C=C(C=C8)S(=O)(=O)O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO
- InChI
- InChI=1S/C41H28N6O15S4.4C6H15NO3/c48-39-33-11-7-27(15-25(33)19-35(65(57,58)59)37(39)46-44-29-5-1-23-17-31(63(51,52)53)9-3-21(23)13-29)42-41(50)43-28-8-12-34-26(16-28)20-36(66(60,61)62)38(40(34)49)47-45-30-6-2-24-18-32(64(54,55)56)10-4-22(24)14-30;4*8-4-1-7(2-5-9)3-6-10/h1-20,48-49H,(H2,42,43,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);4*8-10H,1-6H2