2-[2-[N-[(E)-(5-azanyl-6-oxidanylidene-3-sulfo-cyclohexa-2,4-dien-1-ylidene)amino]-C-phenyl-carbonimidoyl]hydrazinyl]-4-sulfo-benzoic acid

Systemtic Name: 2-[2-[N-[(E)-(5-azanyl-6-oxidanylidene-3-sulfo-cyclohexa-2,4-dien-1-ylidene)amino]-C-phenyl-carbonimidoyl]hydrazinyl]-4-sulfo-benzoic acid Openeye Name: 2-[2-[N-[(E)-(5-amino-6-oxo-3-sulfo-cyclohexa-2,4-dien-1-ylidene)amino]-C-phenyl-carbonimidoyl]hydrazino]-4-sulfo-benzoic acid CAS Name: 2-[[[(E)-(5-amino-6-oxo-3-sulfo-1-cyclohexa-2,4-dienylidene)hydrazinylidene]-phenylmethyl]hydrazo]-4-sulfobenzoic acid IUPAC Name: 2-[2-[N-[(E)-(5-amino-6-oxo-3-sulfocyclohexa-2,4-dien-1-ylidene)amino]-C-phenylcarbonimidoyl]hydrazinyl]-4-sulfobenzoic acid Traditional Name: 2-[N'-[N-[(E)-(5-amino-6-keto-3-sulfo-cyclohexa-2,4-dien-1-ylidene)amino]-C-phenyl-carbonimidoyl]hydrazino]-4-sulfo-benzoic acid Formula: C20H17N5O9S2 MolecularWeight: 535.50708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NN=C2C=C(C=C(C2=O)N)S(=O)(=O)O)NNC3=C(C=CC(=C3)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=N/N=C/2\C=C(C=C(C2=O)N)S(=O)(=O)O)NNC3=C(C=CC(=C3)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C20H17N5O9S2/c21-15-8-13(36(32,33)34)10-17(18(15)26)23-25-19(11-4-2-1-3-5-11)24-22-16-9-12(35(29,30)31)6-7-14(16)20(27)28/h1-10,22H,21H2,(H,24,25)(H,27,28)(H,29,30,31)(H,32,33,34)/b23-17+