2,5-bis(chloranyl)-4-[4-[(4-chlorophenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 2,5-bis(chloranyl)-4-[4-[(4-chlorophenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 2,5-dichloro-4-[4-(4-chlorophenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 2,5-dichloro-4-[4-(4-chlorophenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 2,5-dichloro-4-[4-[(4-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 2,5-dichloro-4-[4-(4-chlorophenyl)azo-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C16H11Cl3N4O4S MolecularWeight: 461.70694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)Cl)C3=CC(=C(C=C3Cl)S(=O)(=O)O)Cl

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)Cl)C3=CC(=C(C=C3Cl)S(=O)(=O)O)Cl

InChI

InChI=1S/C16H11Cl3N4O4S/c1-8-15(21-20-10-4-2-9(17)3-5-10)16(24)23(22-8)13-6-12(19)14(7-11(13)18)28(25,26)27/h2-7,15H,1H3,(H,25,26,27)