5-chloranylsulfonyl-2-(3,4-dimethylphenyl)carbonyl-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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