azanium sodium 2-[(2Z)-2-[5-aminocarbonyl-4-methyl-2,6-bis(oxidanylidene)-1-[2-(4-sulfonatophenyl)ethyl]pyridin-3-ylidene]hydrazinyl]-5-[(3-phosphonophenyl)diazenyl]benzenesulfonate

Systemtic Name: azanium sodium 2-[(2Z)-2-[5-aminocarbonyl-4-methyl-2,6-bis(oxidanylidene)-1-[2-(4-sulfonatophenyl)ethyl]pyridin-3-ylidene]hydrazinyl]-5-[(3-phosphonophenyl)diazenyl]benzenesulfonate Openeye Name: ammonium sodium 2-[(2Z)-2-[5-carbamoyl-4-methyl-2,6-dioxo-1-[2-(4-sulfonatophenyl)ethyl]-3-pyridylidene]hydrazino]-5-(3-phosphonophenyl)azo-benzenesulfonate CAS Name: ammonium sodium 2-[(2Z)-2-[5-carbamoyl-4-methyl-2,6-dioxo-1-[2-(4-sulfonatophenyl)ethyl]-3-pyridinylidene]hydrazinyl]-5-(3-phosphonophenyl)azobenzenesulfonate IUPAC Name: azanium sodium 2-[(2Z)-2-[5-carbamoyl-4-methyl-2,6-dioxo-1-[2-(4-sulfonatophenyl)ethyl]pyridin-3-ylidene]hydrazinyl]-5-[(3-phosphonophenyl)diazenyl]benzenesulfonate Traditional Name: ammonium sodium 2-[(N'Z)-N'-[5-carbamoyl-2,6-diketo-4-methyl-1-[2-(4-sulfonatophenyl)ethyl]-3-pyridylidene]hydrazino]-5-(3-phosphonophenyl)azo-besylate Formula: C27H27N7NaO12PS2 MolecularWeight: 759.636511

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)C1=NNC2=C(C=C(C=C2)N=NC3=CC(=CC=C3)P(=O)(O)O)S(=O)(=O)[O-])CCC4=CC=C(C=C4)S(=O)(=O)[O-])C(=O)N.[NH4+].[Na+]

Isomeric SMILES

CC\1=C(C(=O)N(C(=O)/C1=N\NC2=C(C=C(C=C2)N=NC3=CC(=CC=C3)P(=O)(O)O)S(=O)(=O)[O-])CCC4=CC=C(C=C4)S(=O)(=O)[O-])C(=O)N.[NH4+].[Na+]

InChI

InChI=1S/C27H25N6O12PS2.H3N.Na/c1-15-23(25(28)34)26(35)33(12-11-16-5-8-20(9-6-16)47(40,41)42)27(36)24(15)32-31-21-10-7-18(14-22(21)48(43,44)45)30-29-17-3-2-4-19(13-17)46(37,38)39;;/h2-10,13-14,31H,11-12H2,1H3,(H2,28,34)(H2,37,38,39)(H,40,41,42)(H,43,44,45);1H3;/q;;+1/p-1/b30-29?,32-24-;;