AC1NX4NC

2-[[5-carbamoyl-6-hydroxy-4-methyl-2-oxo-1-[2-(4-sulfophenyl)ethyl]-3-pyridinyl]diazenyl]-5-[(3-phosphonophenyl)diazenyl]benzenesulfonic acid

Also Known As: 2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid|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]-|2-(2-{5-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-[2-(4-sulfophenyl)ethyl]-1,6-dihydropyridin-3-yl}diazen-1-yl)-5-[2-(3-phosphonophenyl)diazen-1-yl]benzene-1-sulfonic acid|2-[(2E)-2-[5-carbamoyl-4-methyl-2,6-dioxo-1-[2-(4-sulfophenyl)ethyl]pyridin-3-ylidene]hydrazinyl]-5-[(3-phosphonophenyl)diazenyl]benzenesulfonic acid|2-[(2Z)-2-[5-carbamoyl-4-methyl-2,6-dioxo-1-[2-(4-sulfophenyl)ethyl]pyridin-3-ylidene]hydrazinyl]-5-[(3-phosphonophenyl)diazenyl]benzenesulfonic acid|2-[[[5-(Aminocarbonyl)-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-[2-(4-sulfophenyl)ethyl]pyridin]-3-yl]azo]-5-[(3-phosphonophenyl)azo]benzenesulfonic acid|2-[[5-carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-[2- ethyl]-3-pyridyl]azo]-5-[ azo]benzenesulphonicacid|2-[[5-carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-[2-(4-sulphophenyl)ethyl]-3-pyridyl]azo]-5-[(3-phosphonophenyl)azo]benzenesulphonic 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]benzenesulfonic acid|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]-

Molecular Formula	C27H25N6O12PS2
Molecular Weight	720.0709 g/mol
LogP	0.6
Topological Polar Surface Area	316.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	16
Rotatable Bonds	11
Exact Mass	720.0709
Monoisotopic Mass	720.0709
Heavy Atoms	48
Complexity	1640.0

Chemical Identifiers

CAS Number	70911-43-2
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
InChIKey	NTGXZLSTWOVPFB-UHFFFAOYSA-N