4,5-dimethoxy-2-(phenylmethyl)sulfonyl-benzoic acid

Systemtic Name: 4,5-dimethoxy-2-(phenylmethyl)sulfonyl-benzoic acid Openeye Name: 2-benzylsulfonyl-4,5-dimethoxy-benzoic acid CAS Name: 4,5-dimethoxy-2-(phenylmethyl)sulfonylbenzoic acid IUPAC Name: 2-benzylsulfonyl-4,5-dimethoxybenzoic acid Traditional Name: 2-benzylsulfonyl-4,5-dimethoxy-benzoic acid Formula: C16H16O6S MolecularWeight: 336.35964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)S(=O)(=O)CC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)S(=O)(=O)CC2=CC=CC=C2)OC

InChI

InChI=1S/C16H16O6S/c1-21-13-8-12(16(17)18)15(9-14(13)22-2)23(19,20)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,17,18)