sodium 5-[2-(4-azanylidene-6-methyl-3-oxidanylidene-cyclohexa-1,5-dien-1-yl)hydrazinyl]-2-chloranyl-benzenesulfonate

Systemtic Name: sodium 5-[2-(4-azanylidene-6-methyl-3-oxidanylidene-cyclohexa-1,5-dien-1-yl)hydrazinyl]-2-chloranyl-benzenesulfonate Openeye Name: sodium 2-chloro-5-[2-(4-imino-6-methyl-3-oxo-cyclohexa-1,5-dien-1-yl)hydrazino]benzenesulfonate CAS Name: sodium 2-chloro-5-[(4-imino-6-methyl-3-oxo-1-cyclohexa-1,5-dienyl)hydrazo]benzenesulfonate IUPAC Name: sodium 2-chloro-5-[2-(4-imino-6-methyl-3-oxocyclohexa-1,5-dien-1-yl)hydrazinyl]benzenesulfonate Traditional Name: sodium 2-chloro-5-[N'-(4-imino-3-keto-6-methyl-cyclohexa-1,5-dien-1-yl)hydrazino]besylate Formula: C13H11ClN3NaO4S MolecularWeight: 363.75191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=N)C(=O)C=C1NNC2=CC(=C(C=C2)Cl)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=N)C(=O)C=C1NNC2=CC(=C(C=C2)Cl)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H12ClN3O4S.Na/c1-7-4-10(15)12(18)6-11(7)17-16-8-2-3-9(14)13(5-8)22(19,20)21;/h2-6,15-17H,1H3,(H,19,20,21);/q;+1/p-1