3-cyclohexyl-2-(furan-2-ylmethylsulfanyl)propanoic acid

Systemtic Name: 3-cyclohexyl-2-(furan-2-ylmethylsulfanyl)propanoic acid Openeye Name: 3-cyclohexyl-2-(2-furylmethylsulfanyl)propanoic acid CAS Name: 3-cyclohexyl-2-(2-furanylmethylthio)propanoic acid IUPAC Name: 3-cyclohexyl-2-(furan-2-ylmethylsulfanyl)propanoic acid Traditional Name: 3-cyclohexyl-2-(2-furfurylthio)propionic acid Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)O)SCC2=CC=CO2

Isomeric SMILES

C1CCC(CC1)CC(C(=O)O)SCC2=CC=CO2

InChI

InChI=1S/C14H20O3S/c15-14(16)13(9-11-5-2-1-3-6-11)18-10-12-7-4-8-17-12/h4,7-8,11,13H,1-3,5-6,9-10H2,(H,15,16)