3,3-dimethyl-5-oxidanylidene-5-(5-phenethylthiophen-2-yl)pentanoic acid

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-(5-phenethylthiophen-2-yl)pentanoic acid Openeye Name: 3,3-dimethyl-5-oxo-5-(5-phenethyl-2-thienyl)pentanoic acid CAS Name: 3,3-dimethyl-5-oxo-5-(5-phenethyl-2-thiophenyl)pentanoic acid IUPAC Name: 3,3-dimethyl-5-oxo-5-(5-phenethylthiophen-2-yl)pentanoic acid Traditional Name: 5-keto-3,3-dimethyl-5-(5-phenethyl-2-thienyl)valeric acid Formula: C19H22O3S MolecularWeight: 330.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C1=CC=C(S1)CCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)C1=CC=C(S1)CCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C19H22O3S/c1-19(2,13-18(21)22)12-16(20)17-11-10-15(23-17)9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,21,22)