3,3-dimethyl-5-[5-[3-(4-methylphenyl)propyl]thiophen-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 3,3-dimethyl-5-[5-[3-(4-methylphenyl)propyl]thiophen-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 3,3-dimethyl-5-oxo-5-[5-[3-(p-tolyl)propyl]-2-thienyl]pentanoic acid CAS Name: 3,3-dimethyl-5-[5-[3-(4-methylphenyl)propyl]-2-thiophenyl]-5-oxopentanoic acid IUPAC Name: 3,3-dimethyl-5-[5-[3-(4-methylphenyl)propyl]thiophen-2-yl]-5-oxopentanoic acid Traditional Name: 5-keto-3,3-dimethyl-5-[5-[3-(p-tolyl)propyl]-2-thienyl]valeric acid Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCCC2=CC=C(S2)C(=O)CC(C)(C)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCCC2=CC=C(S2)C(=O)CC(C)(C)CC(=O)O

InChI

InChI=1S/C21H26O3S/c1-15-7-9-16(10-8-15)5-4-6-17-11-12-19(25-17)18(22)13-21(2,3)14-20(23)24/h7-12H,4-6,13-14H2,1-3H3,(H,23,24)