sodium 5-chloranyl-2-oxidanyl-3-[(2Z)-2-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonate

Systemtic Name: sodium 5-chloranyl-2-oxidanyl-3-[(2Z)-2-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonate Openeye Name: sodium 5-chloro-2-hydroxy-3-[(2Z)-2-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]benzenesulfonate CAS Name: sodium 5-chloro-2-hydroxy-3-[(2Z)-2-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]benzenesulfonate IUPAC Name: sodium 5-chloro-2-hydroxy-3-[(2Z)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonate Traditional Name: sodium 5-chloro-2-hydroxy-3-[(N'Z)-N'-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]besylate Formula: C12H8ClN2NaO6S MolecularWeight: 366.70949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NNC2=CC(=CC(=C2O)S(=O)(=O)[O-])Cl)C(=CC1=O)O.[Na+]

Isomeric SMILES

C1=C/C(=N/NC2=CC(=CC(=C2O)S(=O)(=O)[O-])Cl)/C(=CC1=O)O.[Na+]

InChI

InChI=1S/C12H9ClN2O6S.Na/c13-6-3-9(12(18)11(4-6)22(19,20)21)15-14-8-2-1-7(16)5-10(8)17;/h1-5,15,17-18H,(H,19,20,21);/q;+1/p-1/b14-8-;