5-oxidanyl-4-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]-7-sulfo-naphthalene-2-sulfonate

Systemtic Name: 5-oxidanyl-4-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]-7-sulfo-naphthalene-2-sulfonate Openeye Name: 5-hydroxy-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-7-sulfo-naphthalene-2-sulfonate CAS Name: 5-hydroxy-4-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-7-sulfo-2-naphthalenesulfonate IUPAC Name: 5-hydroxy-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-7-sulfonaphthalene-2-sulfonate Traditional Name: 5-hydroxy-4-[(6-ketocyclohexa-2,4-dien-1-ylidene)methylamino]-7-sulfo-naphthalene-2-sulfonate Formula: C17H12NO8S2- MolecularWeight: 422.40908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)O)C(=O)C=C1

Isomeric SMILES

C1=CC(=CNC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)O)C(=O)C=C1

InChI

InChI=1S/C17H13NO8S2/c19-15-4-2-1-3-10(15)9-18-14-7-12(27(21,22)23)5-11-6-13(28(24,25)26)8-16(20)17(11)14/h1-9,18,20H,(H,21,22,23)(H,24,25,26)/p-1