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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C1=CC=C(S1)CCCCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)C1=CC=C(S1)CCCCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C21H26O3S/c1-21(2,15-20(23)24)14-18(22)19-13-12-17(25-19)11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,12-13H,6-7,10-11,14-15H2,1-2H3,(H,23,24)