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

Systemtic Name: 7-[5-methyl-2-(3-phenylpropyl)thiophen-3-yl]heptanoic acid Openeye Name: 7-[5-methyl-2-(3-phenylpropyl)-3-thienyl]heptanoic acid CAS Name: 7-[5-methyl-2-(3-phenylpropyl)-3-thiophenyl]heptanoic acid IUPAC Name: 7-[5-methyl-2-(3-phenylpropyl)thiophen-3-yl]heptanoic acid Traditional Name: 7-[5-methyl-2-(3-phenylpropyl)-3-thienyl]enanthic acid Formula: C21H28O2S MolecularWeight: 344.51082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O2S/c1-17-16-19(13-7-2-3-8-15-21(22)23)20(24-17)14-9-12-18-10-5-4-6-11-18/h4-6,10-11,16H,2-3,7-9,12-15H2,1H3,(H,22,23)