S-phenyl (2S,3R)-2-methyl-3-oxidanyl-12-oxidanylidene-tridecanethioate

Systemtic Name: S-phenyl (2S,3R)-2-methyl-3-oxidanyl-12-oxidanylidene-tridecanethioate Openeye Name: S-phenyl (2S,3R)-3-hydroxy-2-methyl-12-oxo-tridecanethioate CAS Name: (2S,3R)-3-hydroxy-2-methyl-12-oxotridecanethioic acid S-phenyl ester IUPAC Name: S-phenyl (2S,3R)-3-hydroxy-2-methyl-12-oxotridecanethioate Traditional Name: (2S,3R)-3-hydroxy-12-keto-2-methyl-tridecanethioic acid S-phenyl ester Formula: C20H30O3S MolecularWeight: 350.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCCCCCCC(=O)C)O)C(=O)SC1=CC=CC=C1

Isomeric SMILES

C[C@@H]([C@@H](CCCCCCCCC(=O)C)O)C(=O)SC1=CC=CC=C1

InChI

InChI=1S/C20H30O3S/c1-16(21)12-8-5-3-4-6-11-15-19(22)17(2)20(23)24-18-13-9-7-10-14-18/h7,9-10,13-14,17,19,22H,3-6,8,11-12,15H2,1-2H3/t17-,19+/m0/s1