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

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-[5-(3-phenylpropyl)thiophen-2-yl]pentanoic acid Openeye Name: 3,3-dimethyl-5-oxo-5-[5-(3-phenylpropyl)-2-thienyl]pentanoic acid CAS Name: 3,3-dimethyl-5-oxo-5-[5-(3-phenylpropyl)-2-thiophenyl]pentanoic acid IUPAC Name: 3,3-dimethyl-5-oxo-5-[5-(3-phenylpropyl)thiophen-2-yl]pentanoic acid Traditional Name: 5-keto-3,3-dimethyl-5-[5-(3-phenylpropyl)-2-thienyl]valeric acid Formula: C20H24O3S MolecularWeight: 344.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C1=CC=C(S1)CCCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)C1=CC=C(S1)CCCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C20H24O3S/c1-20(2,14-19(22)23)13-17(21)18-12-11-16(24-18)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10,13-14H2,1-2H3,(H,22,23)