4-azanyl-3-[(2E)-2-(3-nitro-6-oxidanylidene-5-sulfo-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]naphthalene-2,7-disulfonic acid

Systemtic Name: 4-azanyl-3-[(2E)-2-(3-nitro-6-oxidanylidene-5-sulfo-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]naphthalene-2,7-disulfonic acid Openeye Name: 4-amino-3-[(2E)-2-(3-nitro-6-oxo-5-sulfo-cyclohexa-2,4-dien-1-ylidene)hydrazino]naphthalene-2,7-disulfonic acid CAS Name: 4-amino-3-[(2E)-2-(3-nitro-6-oxo-5-sulfo-1-cyclohexa-2,4-dienylidene)hydrazinyl]naphthalene-2,7-disulfonic acid IUPAC Name: 4-amino-3-[(2E)-2-(3-nitro-6-oxo-5-sulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]naphthalene-2,7-disulfonic acid Traditional Name: 4-amino-3-[(N'E)-N'-(6-keto-3-nitro-5-sulfo-cyclohexa-2,4-dien-1-ylidene)hydrazino]naphthalene-2,7-disulfonic acid Formula: C16H12N4O12S3 MolecularWeight: 548.48108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)NN=C3C=C(C=C(C3=O)S(=O)(=O)O)[N+](=O)[O-])N

Isomeric SMILES

C1=CC2=C(C(=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)N/N=C/3\C=C(C=C(C3=O)S(=O)(=O)O)[N+](=O)[O-])N

InChI

InChI=1S/C16H12N4O12S3/c17-14-10-2-1-9(33(24,25)26)3-7(10)4-12(34(27,28)29)15(14)19-18-11-5-8(20(22)23)6-13(16(11)21)35(30,31)32/h1-6,19H,17H2,(H,24,25,26)(H,27,28,29)(H,30,31,32)/b18-11+