3-chloranylsulfonyl-5-[(4-chlorophenyl)methoxy]-4-(phenylcarbonyl)benzoic acid

Systemtic Name: 3-chloranylsulfonyl-5-[(4-chlorophenyl)methoxy]-4-(phenylcarbonyl)benzoic acid Openeye Name: 4-benzoyl-3-[(4-chlorophenyl)methoxy]-5-chlorosulfonyl-benzoic acid CAS Name: 4-benzoyl-3-[(4-chlorophenyl)methoxy]-5-chlorosulfonylbenzoic acid IUPAC Name: 4-benzoyl-3-[(4-chlorophenyl)methoxy]-5-chlorosulfonylbenzoic acid Traditional Name: 4-benzoyl-3-(4-chlorobenzyl)oxy-5-chlorosulfonyl-benzoic acid Formula: C21H14Cl2O6S MolecularWeight: 465.30326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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