4-chloranyl-3-[4-[(3-methanoylphenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-chloranyl-3-[4-[(3-methanoylphenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-chloro-3-[4-(3-formylphenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-chloro-3-[4-(3-formylphenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 4-chloro-3-[4-[(3-formylphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-chloro-3-[4-(3-formylphenyl)azo-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C17H13ClN4O5S MolecularWeight: 420.82692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC(=C2)C=O)C3=C(C=CC(=C3)S(=O)(=O)O)Cl

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC(=C2)C=O)C3=C(C=CC(=C3)S(=O)(=O)O)Cl

InChI

InChI=1S/C17H13ClN4O5S/c1-10-16(20-19-12-4-2-3-11(7-12)9-23)17(24)22(21-10)15-8-13(28(25,26)27)5-6-14(15)18/h2-9,16H,1H3,(H,25,26,27)