3-(3,4-dimethoxyphenyl)sulfonyl-5-phenyl-pentanoic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)sulfonyl-5-phenyl-pentanoic acid Openeye Name: 3-(3,4-dimethoxyphenyl)sulfonyl-5-phenyl-pentanoic acid CAS Name: 3-(3,4-dimethoxyphenyl)sulfonyl-5-phenylpentanoic acid IUPAC Name: 3-(3,4-dimethoxyphenyl)sulfonyl-5-phenylpentanoic acid Traditional Name: 3-(3,4-dimethoxyphenyl)sulfonyl-5-phenyl-valeric acid Formula: C19H22O6S MolecularWeight: 378.43938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C(CCC2=CC=CC=C2)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C(CCC2=CC=CC=C2)CC(=O)O)OC

InChI

InChI=1S/C19H22O6S/c1-24-17-11-10-15(12-18(17)25-2)26(22,23)16(13-19(20)21)9-8-14-6-4-3-5-7-14/h3-7,10-12,16H,8-9,13H2,1-2H3,(H,20,21)