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

Systemtic Name: 5-chloranyl-4-methyl-2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonic acid Openeye Name: 5-chloro-4-methyl-2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzenesulfonic acid CAS Name: 5-chloro-4-methyl-2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzenesulfonic acid IUPAC Name: 5-chloro-4-methyl-2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonic acid Traditional Name: 5-chloro-2-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)azo]-4-methyl-besylic acid Formula: C17H15ClN4O4S MolecularWeight: 406.8434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S(=O)(=O)O)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S(=O)(=O)O)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C17H15ClN4O4S/c1-10-8-14(15(9-13(10)18)27(24,25)26)19-20-16-11(2)21-22(17(16)23)12-6-4-3-5-7-12/h3-9,16H,1-2H3,(H,24,25,26)