4-azanyl-3-[(2E)-2-(3,5-dinitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]naphthalene-1-sulfonic acid

Systemtic Name: 4-azanyl-3-[(2E)-2-(3,5-dinitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]naphthalene-1-sulfonic acid Openeye Name: 4-amino-3-[(2E)-2-(3,5-dinitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]naphthalene-1-sulfonic acid CAS Name: 4-amino-3-[(2E)-2-(3,5-dinitro-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-1-naphthalenesulfonic acid IUPAC Name: 4-amino-3-[(2E)-2-(3,5-dinitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]naphthalene-1-sulfonic acid Traditional Name: 4-amino-3-[(N'E)-N'-(6-keto-3,5-dinitro-cyclohexa-2,4-dien-1-ylidene)hydrazino]naphthalene-1-sulfonic acid Formula: C16H11N5O8S MolecularWeight: 433.35224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2N)NN=C3C=C(C=C(C3=O)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2N)N/N=C/3\C=C(C=C(C3=O)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C16H11N5O8S/c17-15-10-4-2-1-3-9(10)14(30(27,28)29)7-11(15)18-19-12-5-8(20(23)24)6-13(16(12)22)21(25)26/h1-7,18H,17H2,(H,27,28,29)/b19-12+