2-(furan-2-ylmethylsulfanyl)-4,4-dimethyl-pentanoic acid

Systemtic Name: 2-(furan-2-ylmethylsulfanyl)-4,4-dimethyl-pentanoic acid Openeye Name: 2-(2-furylmethylsulfanyl)-4,4-dimethyl-pentanoic acid CAS Name: 2-(2-furanylmethylthio)-4,4-dimethylpentanoic acid IUPAC Name: 2-(furan-2-ylmethylsulfanyl)-4,4-dimethylpentanoic acid Traditional Name: 2-(2-furfurylthio)-4,4-dimethyl-valeric acid Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)O)SCC1=CC=CO1

Isomeric SMILES

CC(C)(C)CC(C(=O)O)SCC1=CC=CO1

InChI

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