3,3-dimethyl-5-[5-(4-phenylbutyl)thiophen-2-yl]pentanoic acid

Systemtic Name: 3,3-dimethyl-5-[5-(4-phenylbutyl)thiophen-2-yl]pentanoic acid Openeye Name: 3,3-dimethyl-5-[5-(4-phenylbutyl)-2-thienyl]pentanoic acid CAS Name: 3,3-dimethyl-5-[5-(4-phenylbutyl)-2-thiophenyl]pentanoic acid IUPAC Name: 3,3-dimethyl-5-[5-(4-phenylbutyl)thiophen-2-yl]pentanoic acid Traditional Name: 3,3-dimethyl-5-[5-(4-phenylbutyl)-2-thienyl]valeric acid Formula: C21H28O2S MolecularWeight: 344.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=CC=C(S1)CCCCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC(C)(CCC1=CC=C(S1)CCCCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C21H28O2S/c1-21(2,16-20(22)23)15-14-19-13-12-18(24-19)11-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,12-13H,6-7,10-11,14-16H2,1-2H3,(H,22,23)