methyl 2-methyl-6-[(2S)-2-methyl-3-oxidanyl-propyl]sulfanyl-benzoate

Systemtic Name: methyl 2-methyl-6-[(2S)-2-methyl-3-oxidanyl-propyl]sulfanyl-benzoate Openeye Name: methyl 2-[(2S)-3-hydroxy-2-methyl-propyl]sulfanyl-6-methyl-benzoate CAS Name: 2-[[(2S)-3-hydroxy-2-methylpropyl]thio]-6-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[(2S)-3-hydroxy-2-methylpropyl]sulfanyl-6-methylbenzoate Traditional Name: 2-[[(2S)-3-hydroxy-2-methyl-propyl]thio]-6-methyl-benzoic acid methyl ester Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)SCC(C)CO)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)SC[C@@H](C)CO)C(=O)OC

InChI

InChI=1S/C13H18O3S/c1-9(7-14)8-17-11-6-4-5-10(2)12(11)13(15)16-3/h4-6,9,14H,7-8H2,1-3H3/t9-/m0/s1