5-[[2-azanyl-7-[2-(3-nitro-6-oxidanylidene-5-sulfo-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-oxidanyl-naphthalen-1-yl]hydrazinylidene]-6-oxidanylidene-3-sulfo-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 5-[[2-azanyl-7-[2-(3-nitro-6-oxidanylidene-5-sulfo-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-oxidanyl-naphthalen-1-yl]hydrazinylidene]-6-oxidanylidene-3-sulfo-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 5-[[2-amino-5-hydroxy-7-[2-(3-nitro-6-oxo-5-sulfo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-1-naphthyl]hydrazono]-6-oxo-3-sulfo-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 5-[[2-amino-5-hydroxy-7-[2-(3-nitro-6-oxo-5-sulfo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-1-naphthalenyl]hydrazinylidene]-6-oxo-3-sulfo-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 5-[[2-amino-5-hydroxy-7-[2-(3-nitro-6-oxo-5-sulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]naphthalen-1-yl]hydrazinylidene]-6-oxo-3-sulfocyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 5-[[2-amino-5-hydroxy-7-[N'-(6-keto-3-nitro-5-sulfo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-1-naphthyl]hydrazono]-6-keto-3-sulfo-cyclohexa-1,3-diene-1-carboxylic acid Formula: C23H16N6O13S2 MolecularWeight: 648.53554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=CC(=CC(=C21)O)NN=C3C=C(C=C(C3=O)S(=O)(=O)O)[N+](=O)[O-])NN=C4C=C(C=C(C4=O)C(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C2=CC(=CC(=C21)O)NN=C3C=C(C=C(C3=O)S(=O)(=O)O)[N+](=O)[O-])NN=C4C=C(C=C(C4=O)C(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C23H16N6O13S2/c24-15-2-1-12-13(20(15)28-27-17-8-11(43(37,38)39)7-14(21(17)31)23(33)34)3-9(4-18(12)30)25-26-16-5-10(29(35)36)6-19(22(16)32)44(40,41)42/h1-8,25,28,30H,24H2,(H,33,34)(H,37,38,39)(H,40,41,42)