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

Systemtic Name: sodium 2-chloranyl-4-methyl-5-[(2Z)-2-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonate Openeye Name: sodium 2-chloro-5-[(2Z)-2-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]-4-methyl-benzenesulfonate CAS Name: sodium 2-chloro-5-[(2Z)-2-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-4-methylbenzenesulfonate IUPAC Name: sodium 2-chloro-5-[(2Z)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-4-methylbenzenesulfonate Traditional Name: sodium 2-chloro-5-[(N'Z)-N'-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]-4-methyl-besylate Formula: C13H10ClN2NaO5S MolecularWeight: 364.73667

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NN=C2C=CC(=O)C=C2O)S(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N/N=C\2/C=CC(=O)C=C2O)S(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C13H11ClN2O5S.Na/c1-7-4-9(14)13(22(19,20)21)6-11(7)16-15-10-3-2-8(17)5-12(10)18;/h2-6,16,18H,1H3,(H,19,20,21);/q;+1/p-1/b15-10-;