3-ethyl-3-(4-methoxyphenyl)sulfanyl-7-phenyl-heptanoic acid

Systemtic Name: 3-ethyl-3-(4-methoxyphenyl)sulfanyl-7-phenyl-heptanoic acid Openeye Name: 3-ethyl-3-(4-methoxyphenyl)sulfanyl-7-phenyl-heptanoic acid CAS Name: 3-ethyl-3-[(4-methoxyphenyl)thio]-7-phenylheptanoic acid IUPAC Name: 3-ethyl-3-(4-methoxyphenyl)sulfanyl-7-phenylheptanoic acid Traditional Name: 3-ethyl-3-[(4-methoxyphenyl)thio]-7-phenyl-enanthic acid Formula: C22H28O3S MolecularWeight: 372.52092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCC1=CC=CC=C1)(CC(=O)O)SC2=CC=C(C=C2)OC

Isomeric SMILES

CCC(CCCCC1=CC=CC=C1)(CC(=O)O)SC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H28O3S/c1-3-22(17-21(23)24,26-20-14-12-19(25-2)13-15-20)16-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,12-15H,3,7-8,11,16-17H2,1-2H3,(H,23,24)