S-tert-butyl (E,4S,5R)-4-methyl-3-oxidanyl-5-phenyl-non-6-enethioate

Systemtic Name: S-tert-butyl (E,4S,5R)-4-methyl-3-oxidanyl-5-phenyl-non-6-enethioate Openeye Name: S-tert-butyl (E,4S,5R)-3-hydroxy-4-methyl-5-phenyl-non-6-enethioate CAS Name: (E,4S,5R)-3-hydroxy-4-methyl-5-phenyl-6-nonenethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (E,4S,5R)-3-hydroxy-4-methyl-5-phenylnon-6-enethioate Traditional Name: (E,4S,5R)-3-hydroxy-4-methyl-5-phenyl-non-6-enethioic acid S-tert-butyl ester Formula: C20H30O2S MolecularWeight: 334.516

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(C1=CC=CC=C1)C(C)C(CC(=O)SC(C)(C)C)O

Isomeric SMILES

CC/C=C/[C@@H](C1=CC=CC=C1)[C@H](C)C(CC(=O)SC(C)(C)C)O

InChI

InChI=1S/C20H30O2S/c1-6-7-13-17(16-11-9-8-10-12-16)15(2)18(21)14-19(22)23-20(3,4)5/h7-13,15,17-18,21H,6,14H2,1-5H3/b13-7+/t15-,17+,18?/m0/s1