[5-(1-oxidanidyl-3-oxidanylidene-1,2,4-triazin-1-ium-4-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(1-oxidanidyl-3-oxidanylidene-1,2,4-triazin-1-ium-4-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-dibenzoyloxy-5-(1-oxido-3-oxo-1,2,4-triazin-1-ium-4-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4-dibenzoyloxy-5-(3-keto-1-oxido-1,2,4-triazin-1-ium-4-yl)tetrahydrofuran-2-yl]methyl ester Formula: C29H23N3O9 MolecularWeight: 557.50762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=C[N+](=NC3=O)[O-])OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=C[N+](=NC3=O)[O-])OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H23N3O9/c33-26(19-10-4-1-5-11-19)38-18-22-23(40-27(34)20-12-6-2-7-13-20)24(41-28(35)21-14-8-3-9-15-21)25(39-22)31-16-17-32(37)30-29(31)36/h1-17,22-25H,18H2