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

Systemtic Name: (2,6-dimethylphenyl) (2R,3S,4S)-2,6-dimethyl-3-oxidanyl-4-phenylsulfanyl-heptanoate Openeye Name: (2,6-dimethylphenyl) (2R,3S,4S)-3-hydroxy-2,6-dimethyl-4-phenylsulfanyl-heptanoate CAS Name: (2R,3S,4S)-3-hydroxy-2,6-dimethyl-4-(phenylthio)heptanoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) (2R,3S,4S)-3-hydroxy-2,6-dimethyl-4-phenylsulfanylheptanoate Traditional Name: (2R,3S,4S)-3-hydroxy-2,6-dimethyl-4-(phenylthio)enanthic acid (2,6-dimethylphenyl) ester Formula: C23H30O3S MolecularWeight: 386.5475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30O3S/c1-15(2)14-20(27-19-12-7-6-8-13-19)21(24)18(5)23(25)26-22-16(3)10-9-11-17(22)4/h6-13,15,18,20-21,24H,14H2,1-5H3/t18-,20+,21+/m1/s1