2-[7-(4-hexylphenyl)carbonyl-2,3-dihydro-1-benzothiophen-5-yl]propanoic acid

Systemtic Name: 2-[7-(4-hexylphenyl)carbonyl-2,3-dihydro-1-benzothiophen-5-yl]propanoic acid Openeye Name: 2-[7-(4-hexylbenzoyl)-2,3-dihydrobenzothiophen-5-yl]propanoic acid CAS Name: 2-[7-[(4-hexylphenyl)-oxomethyl]-2,3-dihydro-1-benzothiophen-5-yl]propanoic acid IUPAC Name: 2-[7-(4-hexylbenzoyl)-2,3-dihydro-1-benzothiophen-5-yl]propanoic acid Traditional Name: 2-[7-(4-hexylbenzoyl)-2,3-dihydrobenzothiophen-5-yl]propionic acid Formula: C24H28O3S MolecularWeight: 396.54232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)C2=CC(=CC3=C2SCC3)C(C)C(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)C2=CC(=CC3=C2SCC3)C(C)C(=O)O

InChI

InChI=1S/C24H28O3S/c1-3-4-5-6-7-17-8-10-18(11-9-17)22(25)21-15-20(16(2)24(26)27)14-19-12-13-28-23(19)21/h8-11,14-16H,3-7,12-13H2,1-2H3,(H,26,27)