[6-azanyl-6-oxidanylidene-2,3,4,5-tetrakis(phenylcarbonyloxy)hexyl] benzoate

Systemtic Name: [6-azanyl-6-oxidanylidene-2,3,4,5-tetrakis(phenylcarbonyloxy)hexyl] benzoate Openeye Name: (6-amino-2,3,4,5-tetrabenzoyloxy-6-oxo-hexyl) benzoate CAS Name: benzoic acid (6-amino-2,3,4,5-tetrabenzoyloxy-6-oxohexyl) ester IUPAC Name: (6-amino-2,3,4,5-tetrabenzoyloxy-6-oxohexyl) benzoate Traditional Name: benzoic acid (6-amino-2,3,4,5-tetrabenzoyloxy-6-keto-hexyl) ester Formula: C41H33NO11 MolecularWeight: 715.70082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(C(C(C(C(=O)N)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC(C(C(C(C(=O)N)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C41H33NO11/c42-36(43)35(53-41(48)31-24-14-5-15-25-31)34(52-40(47)30-22-12-4-13-23-30)33(51-39(46)29-20-10-3-11-21-29)32(50-38(45)28-18-8-2-9-19-28)26-49-37(44)27-16-6-1-7-17-27/h1-25,32-35H,26H2,(H2,42,43)