2,5-bis(chloranyl)-4-(3-methyl-2-naphthalen-1-yl-5-oxidanylidene-pyrazol-1-yl)benzenesulfonic acid

Systemtic Name: 2,5-bis(chloranyl)-4-(3-methyl-2-naphthalen-1-yl-5-oxidanylidene-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 2,5-dichloro-4-[3-methyl-2-(1-naphthyl)-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 2,5-dichloro-4-[3-methyl-2-(1-naphthalenyl)-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 2,5-dichloro-4-(3-methyl-2-naphthalen-1-yl-5-oxopyrazol-1-yl)benzenesulfonic acid Traditional Name: 2,5-dichloro-4-[5-keto-3-methyl-2-(1-naphthyl)-3-pyrazolin-1-yl]besylic acid Formula: C20H14Cl2N2O4S MolecularWeight: 449.30716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1C2=CC=CC3=CC=CC=C32)C4=CC(=C(C=C4Cl)S(=O)(=O)O)Cl

Isomeric SMILES

CC1=CC(=O)N(N1C2=CC=CC3=CC=CC=C32)C4=CC(=C(C=C4Cl)S(=O)(=O)O)Cl

InChI

InChI=1S/C20H14Cl2N2O4S/c1-12-9-20(25)24(18-10-16(22)19(11-15(18)21)29(26,27)28)23(12)17-8-4-6-13-5-2-3-7-14(13)17/h2-11H,1H3,(H,26,27,28)