二钠;2-[[5-氨甲酰基-6-羟基-4-甲基-2-氧代-1-[2-(4-磺基苯基)乙基]-3-吡啶基]二氮烯基]-5-[[3-[羟基(氧代)磷酰基]苯基]二氮烯基]苯磺酸盐

二钠;2-[[5-氨甲酰基-6-羟基-4-甲基-2-氧代-1-[2-(4-磺基苯基)乙基]-3-吡啶基]二氮烯基]-5-[[3-[羟基(氧代)磷酰基]苯基]二氮烯基]苯磺酸盐

disodium;2-[[5-carbamoyl-6-hydroxy-4-methyl-2-oxo-1-[2-(4-sulfophenyl)ethyl]-3-pyridinyl]diazenyl]-5-[[3-[hydroxy(oxido)phosphoryl]phenyl]diazenyl]benzenesulfonate

又称：Benzenesulfonic acid, 2-((5-(aminocarbonyl)-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulfophenyl)ethyl)-3-pyridinyl)azo)-5-((3-phosphonophenyl)azo)-, disodium salt, Benzenesulfonic acid, 2-(2-(5-(aminocarbonyl)-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulfophenyl)ethyl)-3-pyridinyl)diazenyl)-5-(2-(3-phosphonophenyl)diazenyl)-, sodium salt (1:2), Benzenesulfonic acid, 2-[[5-(aminocarbonyl)-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-[2-(4-sulfophenyl)ethyl]-3-pyridinyl]azo]-5-[(3-phosphonophenyl)azo]-, disodium salt, Benzenesulfonic acid, 2-[2-[5-(aminocarbonyl)-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-[2-(4-sulfophenyl)ethyl]-3-pyridinyl]diazenyl]-5-[2-(3-phosphonophenyl)diazenyl]-, sodium salt (1:2), Disodium 2-((5-carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphonatophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonate

分子式	C27H23N6Na2O12PS2
分子量	764.03 g/mol
LogP	-3.63548
拓扑极性表面积	322.0 Ų
氢键供体数	4
氢键受体数	16
可旋转键数	10
精确质量	764.03485
重原子数	50
复杂度	1620.0

化学标识符

CAS 编号	68992-04-1
SMILES	CC1=C(C(=O)N(C(=C1C(=O)N)O)CCC2=CC=C(C=C2)S(=O)(=O)O)N=NC3=C(C=C(C=C3)N=NC4=CC(=CC=C4)P(=O)(O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
InChIKey	OWAHHDOQEYOCBT-UHFFFAOYSA-L