methyl 2-[[(4R,6S)-6-oxidanyl-4-propan-2-yl-cyclohexen-1-yl]methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[[(4R,6S)-6-oxidanyl-4-propan-2-yl-cyclohexen-1-yl]methylsulfanyl]ethanoate Openeye Name: methyl 2-[[(4R,6S)-6-hydroxy-4-isopropyl-cyclohexen-1-yl]methylsulfanyl]acetate CAS Name: 2-[[(4R,6S)-6-hydroxy-4-propan-2-yl-1-cyclohexenyl]methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[[(4R,6S)-6-hydroxy-4-propan-2-ylcyclohexen-1-yl]methylsulfanyl]acetate Traditional Name: 2-[[(4R,6S)-6-hydroxy-4-isopropyl-cyclohexen-1-yl]methylthio]acetic acid methyl ester Formula: C13H22O3S MolecularWeight: 258.37698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC=C(C(C1)O)CSCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H22O3S/c1-9(2)10-4-5-11(12(14)6-10)7-17-8-13(15)16-3/h5,9-10,12,14H,4,6-8H2,1-3H3/t10-,12+/m1/s1