2-(4-methylphenyl)sulfonyl-3-(3-phenylpropoxy)propanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyl-3-(3-phenylpropoxy)propanoic acid Openeye Name: 3-(3-phenylpropoxy)-2-(p-tolylsulfonyl)propanoic acid CAS Name: 2-(4-methylphenyl)sulfonyl-3-(3-phenylpropoxy)propanoic acid IUPAC Name: 2-(4-methylphenyl)sulfonyl-3-(3-phenylpropoxy)propanoic acid Traditional Name: 3-(3-phenylpropoxy)-2-tosyl-propionic acid Formula: C19H22O5S MolecularWeight: 362.43998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(COCCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(COCCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H22O5S/c1-15-9-11-17(12-10-15)25(22,23)18(19(20)21)14-24-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,20,21)