7-[5-methyl-2-(3-phenylpropyl)thiophen-3-yl]-7-oxidanylidene-heptanoic acid

Systemtic Name: 7-[5-methyl-2-(3-phenylpropyl)thiophen-3-yl]-7-oxidanylidene-heptanoic acid Openeye Name: 7-[5-methyl-2-(3-phenylpropyl)-3-thienyl]-7-oxo-heptanoic acid CAS Name: 7-[5-methyl-2-(3-phenylpropyl)-3-thiophenyl]-7-oxoheptanoic acid IUPAC Name: 7-[5-methyl-2-(3-phenylpropyl)thiophen-3-yl]-7-oxoheptanoic acid Traditional Name: 7-keto-7-[5-methyl-2-(3-phenylpropyl)-3-thienyl]enanthic acid Formula: C21H26O3S MolecularWeight: 358.49434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)CCCC2=CC=CC=C2)C(=O)CCCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(S1)CCCC2=CC=CC=C2)C(=O)CCCCCC(=O)O

InChI

InChI=1S/C21H26O3S/c1-16-15-18(19(22)12-6-3-7-14-21(23)24)20(25-16)13-8-11-17-9-4-2-5-10-17/h2,4-5,9-10,15H,3,6-8,11-14H2,1H3,(H,23,24)