2-chloranyl-5-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]oxysulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-5-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]oxysulfonyl-benzoic acid Openeye Name: 2-chloro-5-[5-methyl-2-(p-tolyl)pyrazol-3-yl]oxysulfonyl-benzoic acid CAS Name: 2-chloro-5-[[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]oxysulfonyl]benzoic acid IUPAC Name: 2-chloro-5-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]oxysulfonylbenzoic acid Traditional Name: 2-chloro-5-[5-methyl-2-(p-tolyl)pyrazol-3-yl]oxysulfonyl-benzoic acid Formula: C18H15ClN2O5S MolecularWeight: 406.8401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)OS(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)OS(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H15ClN2O5S/c1-11-3-5-13(6-4-11)21-17(9-12(2)20-21)26-27(24,25)14-7-8-16(19)15(10-14)18(22)23/h3-10H,1-2H3,(H,22,23)