3-chloranylsulfonyl-4-phenoxy-5-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 3-chloranylsulfonyl-4-phenoxy-5-(phenylmethylsulfanyl)benzoic acid Openeye Name: 3-benzylsulfanyl-5-chlorosulfonyl-4-phenoxy-benzoic acid CAS Name: 3-chlorosulfonyl-4-phenoxy-5-(phenylmethylthio)benzoic acid IUPAC Name: 3-benzylsulfanyl-5-chlorosulfonyl-4-phenoxybenzoic acid Traditional Name: 3-(benzylthio)-5-chlorosulfonyl-4-phenoxy-benzoic acid Formula: C20H15ClO5S2 MolecularWeight: 434.9131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)Cl)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)Cl)OC3=CC=CC=C3

InChI

InChI=1S/C20H15ClO5S2/c21-28(24,25)18-12-15(20(22)23)11-17(27-13-14-7-3-1-4-8-14)19(18)26-16-9-5-2-6-10-16/h1-12H,13H2,(H,22,23)