2-[[1-(2-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid

Systemtic Name: 2-[[1-(2-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid Openeye Name: 2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]naphthalene-1-sulfonic acid CAS Name: 2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]-1-naphthalenesulfonic acid IUPAC Name: 2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 2-[[1-(2-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]naphthalene-1-sulfonic acid Formula: C20H15ClN4O4S MolecularWeight: 442.8755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)O)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)O)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H15ClN4O4S/c1-12-18(20(26)25(24-12)17-9-5-4-8-15(17)21)23-22-16-11-10-13-6-2-3-7-14(13)19(16)30(27,28)29/h2-11,18H,1H3,(H,27,28,29)