[(2S,3R)-2-methyl-1,2-bis(oxidanyl)nonan-3-yl] 2-phenylsulfanylethanoate

Systemtic Name: [(2S,3R)-2-methyl-1,2-bis(oxidanyl)nonan-3-yl] 2-phenylsulfanylethanoate Openeye Name: [(1R)-1-[(1S)-1,2-dihydroxy-1-methyl-ethyl]heptyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [(2S,3R)-1,2-dihydroxy-2-methylnonan-3-yl] ester IUPAC Name: [(2S,3R)-1,2-dihydroxy-2-methylnonan-3-yl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [(1R)-1-[(1S)-1,2-dihydroxy-1-methyl-ethyl]heptyl] ester Formula: C18H28O4S MolecularWeight: 340.47752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)(CO)O)OC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CCCCCC[C@H]([C@](C)(CO)O)OC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C18H28O4S/c1-3-4-5-9-12-16(18(2,21)14-19)22-17(20)13-23-15-10-7-6-8-11-15/h6-8,10-11,16,19,21H,3-5,9,12-14H2,1-2H3/t16-,18+/m1/s1