[6-methyl-1-oxidanidyl-5-(phenylcarbonyloxy)-4-(phenylcarbonyloxymethyl)pyridin-1-ium-3-yl]methyl benzoate

Systemtic Name: [6-methyl-1-oxidanidyl-5-(phenylcarbonyloxy)-4-(phenylcarbonyloxymethyl)pyridin-1-ium-3-yl]methyl benzoate Openeye Name: [5-benzoyloxy-4-(benzoyloxymethyl)-6-methyl-1-oxido-pyridin-1-ium-3-yl]methyl benzoate CAS Name: benzoic acid [5-benzoyloxy-4-(benzoyloxymethyl)-6-methyl-1-oxido-3-pyridin-1-iumyl]methyl ester IUPAC Name: [5-benzoyloxy-4-(benzoyloxymethyl)-6-methyl-1-oxidopyridin-1-ium-3-yl]methyl benzoate Traditional Name: benzoic acid [5-benzoyloxy-4-(benzoyloxymethyl)-6-methyl-1-oxido-pyridin-1-ium-3-yl]methyl ester Formula: C29H23NO7 MolecularWeight: 497.49542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=C1OC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=[N+](C=C(C(=C1OC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C29H23NO7/c1-20-26(37-29(33)23-15-9-4-10-16-23)25(19-36-28(32)22-13-7-3-8-14-22)24(17-30(20)34)18-35-27(31)21-11-5-2-6-12-21/h2-17H,18-19H2,1H3