methyl (1R,5S)-5-pentylsulfanylcyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1R,5S)-5-pentylsulfanylcyclohex-3-ene-1-carboxylate Openeye Name: methyl (1R,5S)-5-pentylsulfanylcyclohex-3-ene-1-carboxylate CAS Name: (1R,5S)-5-(pentylthio)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,5S)-5-pentylsulfanylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,5S)-5-(amylthio)cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C13H22O2S MolecularWeight: 242.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1CC(CC=C1)C(=O)OC

Isomeric SMILES

CCCCCS[C@H]1C[C@@H](CC=C1)C(=O)OC

InChI

InChI=1S/C13H22O2S/c1-3-4-5-9-16-12-8-6-7-11(10-12)13(14)15-2/h6,8,11-12H,3-5,7,9-10H2,1-2H3/t11-,12-/m1/s1