S-tert-butyl 3-[(2R,3S)-3-oxidanyl-1-phenylmethoxy-hexan-2-yl]oxy-5-phenyl-pent-4-ynethioate

Systemtic Name: S-tert-butyl 3-[(2R,3S)-3-oxidanyl-1-phenylmethoxy-hexan-2-yl]oxy-5-phenyl-pent-4-ynethioate Openeye Name: S-tert-butyl 3-[(1R,2S)-1-(benzyloxymethyl)-2-hydroxy-pentoxy]-5-phenyl-pent-4-ynethioate CAS Name: 3-[(2R,3S)-3-hydroxy-1-phenylmethoxyhexan-2-yl]oxy-5-phenyl-4-pentynethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 3-[(2R,3S)-3-hydroxy-1-phenylmethoxyhexan-2-yl]oxy-5-phenylpent-4-ynethioate Traditional Name: 3-[(1R,2S)-1-(benzoxymethyl)-2-hydroxy-pentoxy]-5-phenyl-pent-4-ynethioic acid S-tert-butyl ester Formula: C28H36O4S MolecularWeight: 468.64804

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(COCC1=CC=CC=C1)OC(CC(=O)SC(C)(C)C)C#CC2=CC=CC=C2)O

Isomeric SMILES

CCC[C@@H]([C@@H](COCC1=CC=CC=C1)OC(CC(=O)SC(C)(C)C)C#CC2=CC=CC=C2)O

InChI

InChI=1S/C28H36O4S/c1-5-12-25(29)26(21-31-20-23-15-10-7-11-16-23)32-24(19-27(30)33-28(2,3)4)18-17-22-13-8-6-9-14-22/h6-11,13-16,24-26,29H,5,12,19-21H2,1-4H3/t24?,25-,26+/m0/s1