[(2R)-2-[(1S)-2-[(4-bromophenyl)methoxy]-1-(phenylcarbonylsulfanyl)ethyl]-4,5-bis(oxidanyl)pentyl] benzoate

Systemtic Name: [(2R)-2-[(1S)-2-[(4-bromophenyl)methoxy]-1-(phenylcarbonylsulfanyl)ethyl]-4,5-bis(oxidanyl)pentyl] benzoate Openeye Name: [(2R)-2-[(1S)-1-benzoylsulfanyl-2-[(4-bromophenyl)methoxy]ethyl]-4,5-dihydroxy-pentyl] benzoate CAS Name: benzoic acid [(2R)-2-[(1S)-1-(benzoylthio)-2-[(4-bromophenyl)methoxy]ethyl]-4,5-dihydroxypentyl] ester IUPAC Name: [(2R)-2-[(1S)-1-benzoylsulfanyl-2-[(4-bromophenyl)methoxy]ethyl]-4,5-dihydroxypentyl] benzoate Traditional Name: benzoic acid [(2R)-2-[(1S)-1-(benzoylthio)-2-(4-bromobenzyl)oxy-ethyl]-4,5-dihydroxy-pentyl] ester Formula: C28H29BrO6S MolecularWeight: 573.49526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(CC(CO)O)C(COCC2=CC=C(C=C2)Br)SC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H](CC(CO)O)[C@@H](COCC2=CC=C(C=C2)Br)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H29BrO6S/c29-24-13-11-20(12-14-24)17-34-19-26(36-28(33)22-9-5-2-6-10-22)23(15-25(31)16-30)18-35-27(32)21-7-3-1-4-8-21/h1-14,23,25-26,30-31H,15-19H2/t23-,25?,26-/m1/s1