(2,6-dimethylphenyl) (2R,3S)-2,4-dimethyl-3-oxidanyl-4-phenylsulfanyl-pentanoate

Systemtic Name: (2,6-dimethylphenyl) (2R,3S)-2,4-dimethyl-3-oxidanyl-4-phenylsulfanyl-pentanoate Openeye Name: (2,6-dimethylphenyl) (2R,3S)-3-hydroxy-2,4-dimethyl-4-phenylsulfanyl-pentanoate CAS Name: (2R,3S)-3-hydroxy-2,4-dimethyl-4-(phenylthio)pentanoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) (2R,3S)-3-hydroxy-2,4-dimethyl-4-phenylsulfanylpentanoate Traditional Name: (2R,3S)-3-hydroxy-2,4-dimethyl-4-(phenylthio)valeric acid (2,6-dimethylphenyl) ester Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C(C)C(C(C)(C)SC2=CC=CC=C2)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)[C@H](C)[C@@H](C(C)(C)SC2=CC=CC=C2)O

InChI

InChI=1S/C21H26O3S/c1-14-10-9-11-15(2)18(14)24-20(23)16(3)19(22)21(4,5)25-17-12-7-6-8-13-17/h6-13,16,19,22H,1-5H3/t16-,19+/m1/s1