2-(3-chloranylsulfonyl-4,5-dimethyl-phenyl)carbonylbenzoic acid

Systemtic Name: 2-(3-chloranylsulfonyl-4,5-dimethyl-phenyl)carbonylbenzoic acid Openeye Name: 2-(3-chlorosulfonyl-4,5-dimethyl-benzoyl)benzoic acid CAS Name: 2-[(3-chlorosulfonyl-4,5-dimethylphenyl)-oxomethyl]benzoic acid IUPAC Name: 2-(3-chlorosulfonyl-4,5-dimethylbenzoyl)benzoic acid Traditional Name: 2-(3-chlorosulfonyl-4,5-dimethyl-benzoyl)benzoic acid Formula: C16H13ClO5S MolecularWeight: 352.78942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)C2=CC=CC=C2C(=O)O)S(=O)(=O)Cl)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)C2=CC=CC=C2C(=O)O)S(=O)(=O)Cl)C

InChI

InChI=1S/C16H13ClO5S/c1-9-7-11(8-14(10(9)2)23(17,21)22)15(18)12-5-3-4-6-13(12)16(19)20/h3-8H,1-2H3,(H,19,20)