8-[5-(3-phenylpropyl)thiophen-2-yl]octanoic acid

Systemtic Name: 8-[5-(3-phenylpropyl)thiophen-2-yl]octanoic acid Openeye Name: 8-[5-(3-phenylpropyl)-2-thienyl]octanoic acid CAS Name: 8-[5-(3-phenylpropyl)-2-thiophenyl]octanoic acid IUPAC Name: 8-[5-(3-phenylpropyl)thiophen-2-yl]octanoic acid Traditional Name: 8-[5-(3-phenylpropyl)-2-thienyl]caprylic acid Formula: C21H28O2S MolecularWeight: 344.51082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=CC=C(S2)CCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=CC=C(S2)CCCCCCCC(=O)O

InChI

InChI=1S/C21H28O2S/c22-21(23)15-8-3-1-2-7-13-19-16-17-20(24-19)14-9-12-18-10-5-4-6-11-18/h4-6,10-11,16-17H,1-3,7-9,12-15H2,(H,22,23)