7-[5-(phenylmethyl)thiophen-2-yl]heptanoic acid

Systemtic Name: 7-[5-(phenylmethyl)thiophen-2-yl]heptanoic acid Openeye Name: 7-(5-benzyl-2-thienyl)heptanoic acid CAS Name: 7-[5-(phenylmethyl)-2-thiophenyl]heptanoic acid IUPAC Name: 7-(5-benzylthiophen-2-yl)heptanoic acid Traditional Name: 7-(5-benzyl-2-thienyl)enanthic acid Formula: C18H22O2S MolecularWeight: 302.43108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(S2)CCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(S2)CCCCCCC(=O)O

InChI

InChI=1S/C18H22O2S/c19-18(20)11-7-2-1-6-10-16-12-13-17(21-16)14-15-8-4-3-5-9-15/h3-5,8-9,12-13H,1-2,6-7,10-11,14H2,(H,19,20)