二[3-[(4,5-二氢-3-甲基-5-氧代-1- 苯基-1H-4-吡唑基)偶氮]-4-羟基 -N-3-(异丙氧基丙基)苯磺酰胺(2-)合 钴酸(1-)9-(2-羰基苯基)-3,6-二(二 乙氨基)占吨翁
9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium bis[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-N-3-(isopropoxypropyl)benzenesulphonamidato(2-)]cobaltate(1-) · CAS 71566-55-7
- 中文名
- 二[3-[(4,5-二氢-3-甲基-5-氧代-1- 苯基-1H-4-吡唑基)偶氮]-4-羟基 -N-3-(异丙氧基丙基)苯磺酰胺(2-)合 钴酸(1-)9-(2-羰基苯基)-3,6-二(二 乙氨基)占吨翁
- 中文别名
- 暂无
- 英文名
- 9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium bis[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-N-3-(isopropoxypropyl)benzenesulphonamidato(2-)]cobaltate(1-)
- CAS
- 71566-55-7
- CID
- 11979407
- IUPAC 名称
- [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;cobalt(3+);bis(3-methyl-4-[[2-oxido-5-(3-propan-2-yloxypropylsulfamoyl)phenyl]diazenyl]-1-phenylpyrazol-5-olate)
名称与编号
- 中文名
- 二[3-[(4,5-二氢-3-甲基-5-氧代-1- 苯基-1H-4-吡唑基)偶氮]-4-羟基 -N-3-(异丙氧基丙基)苯磺酰胺(2-)合 钴酸(1-)9-(2-羰基苯基)-3,6-二(二 乙氨基)占吨翁
- 中文别名
- 暂无
- 英文名
- 9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium bis[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-N-3-(isopropoxypropyl)benzenesulphonamidato(2-)]cobaltate(1-)
- CAS
- 71566-55-7
- CID
- 11979407
- IUPAC 名称
- [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;cobalt(3+);bis(3-methyl-4-[[2-oxido-5-(3-propan-2-yloxypropylsulfamoyl)phenyl]diazenyl]-1-phenylpyrazol-5-olate)
分子属性
- 分子式
- C72H81CoN12O13S2
- 分子量
- 1445.6 g/mol
- 精确质量
- 1444.481942 Da
- 单同位素质量
- 1444.481942 Da
- XLogP
- 暂无
- 极性表面积
- 358 Ų
- 氢键供体
- 3
- 氢键受体
- 22
- 可旋转键
- 27
- 重原子数
- 100
- 净电荷
- 0
- 结构复杂度
- 1540
结构标识
- InChIKey
- WUVJFYRTCZOXAH-UHFFFAOYSA-K
- SMILES
- CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)NCCCOC(C)C)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)NCCCOC(C)C)[O-])[O-])C3=CC=CC=C3.[Co+3]
- InChI
- InChI=1S/C28H30N2O3.2C22H27N5O5S.Co/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;2*1-15(2)32-13-7-12-23-33(30,31)18-10-11-20(28)19(14-18)24-25-21-16(3)26-27(22(21)29)17-8-5-4-6-9-17;/h9-18H,5-8H2,1-4H3;2*4-6,8-11,14-15,23,28-29H,7,12-13H2,1-3H3;/q;;;+3/p-3
