sodium 5-oxidanyl-4-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]-7-sulfo-naphthalene-2-sulfonate

Systemtic Name: sodium 5-oxidanyl-4-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]-7-sulfo-naphthalene-2-sulfonate Openeye Name: sodium 5-hydroxy-4-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-7-sulfo-naphthalene-2-sulfonate CAS Name: sodium 5-hydroxy-4-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-7-sulfo-2-naphthalenesulfonate IUPAC Name: sodium 5-hydroxy-4-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-7-sulfonaphthalene-2-sulfonate Traditional Name: sodium 5-hydroxy-4-[[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]-7-sulfo-naphthalene-2-sulfonate Formula: C17H12NNaO8S2 MolecularWeight: 445.39885

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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.[Na+]

Isomeric SMILES

C1=C/C(=C\NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)O)/C(=O)C=C1.[Na+]

InChI

InChI=1S/C17H13NO8S2.Na/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);/q;+1/p-1/b10-9+;