5-(4,5-dimethylthiophen-2-yl)-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4,5-dimethylthiophen-2-yl)-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4,5-dimethyl-2-thienyl)-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-(4,5-dimethyl-2-thiophenyl)-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-(4,5-dimethylthiophen-2-yl)-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-(4,5-dimethyl-2-thienyl)-5-keto-3,3-dimethyl-valeric acid Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)CC(C)(C)CC(=O)O)C

Isomeric SMILES

CC1=C(SC(=C1)C(=O)CC(C)(C)CC(=O)O)C

InChI

InChI=1S/C13H18O3S/c1-8-5-11(17-9(8)2)10(14)6-13(3,4)7-12(15)16/h5H,6-7H2,1-4H3,(H,15,16)