二[4-[(4,5-二氢-3-甲基-5-氧代-1- 苯基-1H-吡唑-4-基)偶氮]-3-羟基-1- 萘磺酸根合(3-)]铬酸(3-)三氢与 2-(甲基氨基)乙醇的化合物

Trihydrogen bis[4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxynaphthalene-1-sulphonato(3-)]chromate(3-), compound with 2-(methylamino)ethanol · CAS 84812-63-5

中文名: 二[4-[(4,5-二氢-3-甲基-5-氧代-1- 苯基-1H-吡唑-4-基)偶氮]-3-羟基-1- 萘磺酸根合(3-)]铬酸(3-)三氢与 2-(甲基氨基)乙醇的化合物
中文别名: 暂无
英文名: Trihydrogen bis[4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxynaphthalene-1-sulphonato(3-)]chromate(3-), compound with 2-(methylamino)ethanol
CAS: 84812-63-5
CID: 119057724
IUPAC 名称: chromium;hydron;bis(3-hydroxy-4-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]naphthalene-1-sulfonic acid);2-(methylamino)ethanol

名称与编号

中文名: 二[4-[(4,5-二氢-3-甲基-5-氧代-1- 苯基-1H-吡唑-4-基)偶氮]-3-羟基-1- 萘磺酸根合(3-)]铬酸(3-)三氢与 2-(甲基氨基)乙醇的化合物
中文别名: 暂无
英文名: Trihydrogen bis[4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxynaphthalene-1-sulphonato(3-)]chromate(3-), compound with 2-(methylamino)ethanol
CAS: 84812-63-5
CID: 119057724
IUPAC 名称: chromium;hydron;bis(3-hydroxy-4-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]naphthalene-1-sulfonic acid);2-(methylamino)ethanol

分子属性

分子式: C43H42CrN9O11S2+
分子量: 977 g/mol
精确质量: 976.185025 Da
单同位素质量: 976.185025 Da
XLogP: 暂无
极性表面积: 313 Å²
氢键供体: 9
氢键受体: 20
可旋转键: 4
重原子数: 66
净电荷: 1
结构复杂度: 1790

结构标识

InChIKey: OSJAFSPLIVZTAS-UHFFFAOYSA-Q
SMILES: [H+].[H+].[H+].CC1=NN(C(=O)[C-]1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)O)O)C4=CC=CC=C4.CC1=NN(C(=O)[C-]1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)O)O)C4=CC=CC=C4.CNCCO.[Cr]
InChI: InChI=1S/2C20H15N4O5S.C3H9NO.Cr/c2*1-12-18(20(26)24(23-12)13-7-3-2-4-8-13)21-22-19-15-10-6-5-9-14(15)17(11-16(19)25)30(27,28)29;1-4-2-3-5;/h2*2-11,25H,1H3,(H,27,28,29);4-5H,2-3H2,1H3;/q2*-1;;/p+3