3-chloranylsulfonyl-4-(4-methylphenyl)carbonyl-5-phenylmethoxy-benzoic acid

Systemtic Name: 3-chloranylsulfonyl-4-(4-methylphenyl)carbonyl-5-phenylmethoxy-benzoic acid Openeye Name: 3-benzyloxy-5-chlorosulfonyl-4-(4-methylbenzoyl)benzoic acid CAS Name: 3-chlorosulfonyl-4-[(4-methylphenyl)-oxomethyl]-5-phenylmethoxybenzoic acid IUPAC Name: 3-chlorosulfonyl-4-(4-methylbenzoyl)-5-phenylmethoxybenzoic acid Traditional Name: 3-benzoxy-5-chlorosulfonyl-4-p-toluoyl-benzoic acid Formula: C22H17ClO6S MolecularWeight: 444.88478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2S(=O)(=O)Cl)C(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2S(=O)(=O)Cl)C(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H17ClO6S/c1-14-7-9-16(10-8-14)21(24)20-18(29-13-15-5-3-2-4-6-15)11-17(22(25)26)12-19(20)30(23,27)28/h2-12H,13H2,1H3,(H,25,26)