5-[4-[2-(2-chloranyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid

Systemtic Name: 5-[4-[2-(2-chloranyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid Openeye Name: 5-[4-[2-(2-chloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]-3-methyl-5-oxo-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid CAS Name: 5-[4-[2-(2-chloro-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid IUPAC Name: 5-[4-[2-(2-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid Traditional Name: 5-[4-[N'-(2-chloro-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]-5-keto-3-methyl-2-pyrazolin-1-yl]-2-phenoxy-besylic acid Formula: C22H17ClN4O6S MolecularWeight: 500.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1NN=C2C=CC(=O)C=C2Cl)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1NN=C2C=CC(=O)C=C2Cl)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C22H17ClN4O6S/c1-13-21(25-24-18-9-8-15(28)12-17(18)23)22(29)27(26-13)14-7-10-19(20(11-14)34(30,31)32)33-16-5-3-2-4-6-16/h2-12,21,25H,1H3,(H,30,31,32)