C.I.酸性黑107

Hydrogen sodium (3-hydroxy-4-((2-hydroxy-1-naphthyl)azo)-7-nitronaphthalene-1-sulphonato(3-))(1-((2-hydroxy-5-nitrophenyl)azo)-2-naphtholato(2-))chromate(2-) · CAS 68556-27-4

中文名: C.I.酸性黑107
中文别名: 暂无
英文名: Hydrogen sodium (3-hydroxy-4-((2-hydroxy-1-naphthyl)azo)-7-nitronaphthalene-1-sulphonato(3-))(1-((2-hydroxy-5-nitrophenyl)azo)-2-naphtholato(2-))chromate(2-)
CAS: 68556-27-4
CID: 163247
IUPAC 名称: sodium;chromium(3+);1-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one;hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate

名称与编号

中文名: C.I.酸性黑107
中文别名: 暂无
英文名: Hydrogen sodium (3-hydroxy-4-((2-hydroxy-1-naphthyl)azo)-7-nitronaphthalene-1-sulphonato(3-))(1-((2-hydroxy-5-nitrophenyl)azo)-2-naphtholato(2-))chromate(2-)
CAS: 68556-27-4
CID: 163247
IUPAC 名称: sodium;chromium(3+);1-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one;hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate

分子属性

分子式: C36H20CrN6NaO11S
分子量: 819.6 g/mol
精确质量: 819.021351 Da
单同位素质量: 819.021351 Da
XLogP: 暂无
极性表面积: 290 Å²
氢键供体: 1
氢键受体: 16
可旋转键: 3
重原子数: 56
净电荷: 0
结构复杂度: 1470

结构标识

InChIKey: HHXFIYLFEDFMIO-UHFFFAOYSA-L
SMILES: [H+].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C=C(C=CC3=O)N([O-])[O-].[Na+].[Cr+3]
InChI: InChI=1S/C20H13N3O7S.C16H9N3O4.Cr.Na/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;20-14-8-6-11(19(22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)21;;/h1-10,24-25H,(H,28,29,30);1-9H;;/q;-2;+3;+1/p-2