4-methyl-3-oxidanyl-3-(2-thiophen-3-ylethyl)pentanoic acid

Systemtic Name: 4-methyl-3-oxidanyl-3-(2-thiophen-3-ylethyl)pentanoic acid Openeye Name: 3-hydroxy-4-methyl-3-[2-(3-thienyl)ethyl]pentanoic acid CAS Name: 3-hydroxy-4-methyl-3-[2-(3-thiophenyl)ethyl]pentanoic acid IUPAC Name: 3-hydroxy-4-methyl-3-(2-thiophen-3-ylethyl)pentanoic acid Traditional Name: 3-hydroxy-4-methyl-3-[2-(3-thienyl)ethyl]valeric acid Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC1=CSC=C1)(CC(=O)O)O

Isomeric SMILES

CC(C)C(CCC1=CSC=C1)(CC(=O)O)O

InChI

InChI=1S/C12H18O3S/c1-9(2)12(15,7-11(13)14)5-3-10-4-6-16-8-10/h4,6,8-9,15H,3,5,7H2,1-2H3,(H,13,14)