[6-azanyl-3-oxidanyl-4,5-bis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate hydrobromide

Systemtic Name: [6-azanyl-3-oxidanyl-4,5-bis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate hydrobromide Openeye Name: (6-amino-4,5-dibenzoyloxy-3-hydroxy-tetrahydropyran-2-yl)methyl benzoate hydrobromide CAS Name: benzoic acid (6-amino-4,5-dibenzoyloxy-3-hydroxy-2-oxanyl)methyl ester hydrobromide IUPAC Name: (6-amino-4,5-dibenzoyloxy-3-hydroxyoxan-2-yl)methyl benzoate hydrobromide Traditional Name: benzoic acid (6-amino-4,5-dibenzoyloxy-3-hydroxy-tetrahydropyran-2-yl)methyl ester hydrobromide Formula: C27H26BrNO8 MolecularWeight: 572.40124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)N)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O.Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)N)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O.Br

InChI

InChI=1S/C27H25NO8.BrH/c28-24-23(36-27(32)19-14-8-3-9-15-19)22(35-26(31)18-12-6-2-7-13-18)21(29)20(34-24)16-33-25(30)17-10-4-1-5-11-17;/h1-15,20-24,29H,16,28H2;1H