7-[5-(phenylmethyl)thiophen-3-yl]heptanoic acid

Systemtic Name: 7-[5-(phenylmethyl)thiophen-3-yl]heptanoic acid Openeye Name: 7-(5-benzyl-3-thienyl)heptanoic acid CAS Name: 7-[5-(phenylmethyl)-3-thiophenyl]heptanoic acid IUPAC Name: 7-(5-benzylthiophen-3-yl)heptanoic acid Traditional Name: 7-(5-benzyl-3-thienyl)enanthic acid Formula: C18H22O2S MolecularWeight: 302.43108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=CS2)CCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=CS2)CCCCCCC(=O)O

InChI

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