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

Systemtic Name: 3-chloranylsulfonyl-5-[(4-chlorophenyl)methoxy]-4-(phenylmethyl)benzoic acid Openeye Name: 4-benzyl-3-[(4-chlorophenyl)methoxy]-5-chlorosulfonyl-benzoic acid CAS Name: 3-[(4-chlorophenyl)methoxy]-5-chlorosulfonyl-4-(phenylmethyl)benzoic acid IUPAC Name: 4-benzyl-3-[(4-chlorophenyl)methoxy]-5-chlorosulfonylbenzoic acid Traditional Name: 4-benzyl-3-(4-chlorobenzyl)oxy-5-chlorosulfonyl-benzoic acid Formula: C21H16Cl2O5S MolecularWeight: 451.31974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=C(C=C2S(=O)(=O)Cl)C(=O)O)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=C(C=C2S(=O)(=O)Cl)C(=O)O)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H16Cl2O5S/c22-17-8-6-15(7-9-17)13-28-19-11-16(21(24)25)12-20(29(23,26)27)18(19)10-14-4-2-1-3-5-14/h1-9,11-12H,10,13H2,(H,24,25)