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

Systemtic Name: S-tert-butyl (E,3S,4R,5R)-4-(hydroxymethyl)-3-oxidanyl-5-phenyl-undec-6-enethioate Openeye Name: S-tert-butyl (E,3S,4R,5R)-3-hydroxy-4-(hydroxymethyl)-5-phenyl-undec-6-enethioate CAS Name: (E,3S,4R,5R)-3-hydroxy-4-(hydroxymethyl)-5-phenyl-6-undecenethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (E,3S,4R,5R)-3-hydroxy-4-(hydroxymethyl)-5-phenylundec-6-enethioate Traditional Name: (E,3S,4R,5R)-3-hydroxy-4-methylol-5-phenyl-undec-6-enethioic acid S-tert-butyl ester Formula: C22H34O3S MolecularWeight: 378.56856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34O3S/c1-5-6-7-11-14-18(17-12-9-8-10-13-17)19(16-23)20(24)15-21(25)26-22(2,3)4/h8-14,18-20,23-24H,5-7,15-16H2,1-4H3/b14-11+/t18-,19-,20-/m0/s1