[(2R,3S)-3-azido-2-oxidanyl-5,5-bis(phenylmethylsulfanyl)pentyl] benzoate

Systemtic Name: [(2R,3S)-3-azido-2-oxidanyl-5,5-bis(phenylmethylsulfanyl)pentyl] benzoate Openeye Name: [(2R,3S)-3-azido-5,5-bis(benzylsulfanyl)-2-hydroxy-pentyl] benzoate CAS Name: benzoic acid [(2R,3S)-3-azido-2-hydroxy-5,5-bis(phenylmethylthio)pentyl] ester IUPAC Name: [(2R,3S)-3-azido-5,5-bis(benzylsulfanyl)-2-hydroxypentyl] benzoate Traditional Name: benzoic acid [(2R,3S)-3-azido-5,5-bis(benzylthio)-2-hydroxy-pentyl] ester Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(CC(C(COC(=O)C2=CC=CC=C2)O)N=[N+]=[N-])SCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC(C[C@@H]([C@H](COC(=O)C2=CC=CC=C2)O)N=[N+]=[N-])SCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O3S2/c27-29-28-23(24(30)17-32-26(31)22-14-8-3-9-15-22)16-25(33-18-20-10-4-1-5-11-20)34-19-21-12-6-2-7-13-21/h1-15,23-25,30H,16-19H2/t23-,24-/m0/s1