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

Systemtic Name: 3-chloranylsulfonyl-4-(4-chlorophenyl)carbonyl-5-phenylmethoxy-benzoic acid Openeye Name: 3-benzyloxy-4-(4-chlorobenzoyl)-5-chlorosulfonyl-benzoic acid CAS Name: 4-[(4-chlorophenyl)-oxomethyl]-3-chlorosulfonyl-5-phenylmethoxybenzoic acid IUPAC Name: 4-(4-chlorobenzoyl)-3-chlorosulfonyl-5-phenylmethoxybenzoic acid Traditional Name: 3-benzoxy-4-(4-chlorobenzoyl)-5-chlorosulfonyl-benzoic acid Formula: C21H14Cl2O6S MolecularWeight: 465.30326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)Cl)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)Cl)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H14Cl2O6S/c22-16-8-6-14(7-9-16)20(24)19-17(29-12-13-4-2-1-3-5-13)10-15(21(25)26)11-18(19)30(23,27)28/h1-11H,12H2,(H,25,26)