5-chloranyl-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-6-oxidanylidene-cyclohexa-1,4-diene-1-sulfonic acid

Systemtic Name: 5-chloranyl-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-6-oxidanylidene-cyclohexa-1,4-diene-1-sulfonic acid Openeye Name: 5-chloro-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)imino-6-oxo-cyclohexa-1,4-diene-1-sulfonic acid CAS Name: 5-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]-6-oxo-1-cyclohexa-1,4-dienesulfonic acid IUPAC Name: 5-chloro-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-6-oxocyclohexa-1,4-diene-1-sulfonic acid Traditional Name: 5-chloro-6-keto-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]cyclohexa-1,4-diene-1-sulfonic acid Formula: C17H14ClN3O5S MolecularWeight: 407.82816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3C=C(C(=O)C(=C3)Cl)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3C=C(C(=O)C(=C3)Cl)S(=O)(=O)O

InChI

InChI=1S/C17H14ClN3O5S/c1-10-15(17(23)21(20(10)2)12-6-4-3-5-7-12)19-11-8-13(18)16(22)14(9-11)27(24,25)26/h3-9H,1-2H3,(H,24,25,26)