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

Systemtic Name: S-tert-butyl (E,3S,4S,5R)-4-methyl-3-oxidanyl-5-phenyl-undec-6-enethioate Openeye Name: S-tert-butyl (E,3S,4S,5R)-3-hydroxy-4-methyl-5-phenyl-undec-6-enethioate CAS Name: (E,3S,4S,5R)-3-hydroxy-4-methyl-5-phenyl-6-undecenethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (E,3S,4S,5R)-3-hydroxy-4-methyl-5-phenylundec-6-enethioate Traditional Name: (E,3S,4S,5R)-3-hydroxy-4-methyl-5-phenyl-undec-6-enethioic acid S-tert-butyl ester Formula: C22H34O2S MolecularWeight: 362.56916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34O2S/c1-6-7-8-12-15-19(18-13-10-9-11-14-18)17(2)20(23)16-21(24)25-22(3,4)5/h9-15,17,19-20,23H,6-8,16H2,1-5H3/b15-12+/t17-,19+,20-/m0/s1