3-methyl-5-[5-[4-(4-methylphenyl)butyl]thiophen-2-yl]pentanoic acid

Systemtic Name: 3-methyl-5-[5-[4-(4-methylphenyl)butyl]thiophen-2-yl]pentanoic acid Openeye Name: 3-methyl-5-[5-[4-(p-tolyl)butyl]-2-thienyl]pentanoic acid CAS Name: 3-methyl-5-[5-[4-(4-methylphenyl)butyl]-2-thiophenyl]pentanoic acid IUPAC Name: 3-methyl-5-[5-[4-(4-methylphenyl)butyl]thiophen-2-yl]pentanoic acid Traditional Name: 3-methyl-5-[5-[4-(p-tolyl)butyl]-2-thienyl]valeric acid Formula: C21H28O2S MolecularWeight: 344.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCCCC2=CC=C(S2)CCC(C)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCCCC2=CC=C(S2)CCC(C)CC(=O)O

InChI

InChI=1S/C21H28O2S/c1-16-7-10-18(11-8-16)5-3-4-6-19-13-14-20(24-19)12-9-17(2)15-21(22)23/h7-8,10-11,13-14,17H,3-6,9,12,15H2,1-2H3,(H,22,23)