methyl 1-[3,4-bis(phenylcarbonyloxy)-5-(phenylcarbonyloxymethyl)oxolan-2-yl]-6-methyl-pyridin-1-ium-3-carboxylate bromide

Systemtic Name: methyl 1-[3,4-bis(phenylcarbonyloxy)-5-(phenylcarbonyloxymethyl)oxolan-2-yl]-6-methyl-pyridin-1-ium-3-carboxylate bromide Openeye Name: methyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)tetrahydrofuran-2-yl]-6-methyl-pyridin-1-ium-3-carboxylate bromide CAS Name: 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)-2-oxolanyl]-6-methyl-3-pyridin-1-iumcarboxylic acid methyl ester bromide IUPAC Name: methyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-6-methylpyridin-1-ium-3-carboxylate bromide Traditional Name: 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)tetrahydrofuran-2-yl]-6-methyl-pyridin-1-ium-3-carboxylic acid methyl ester bromide Formula: C34H30BrNO9 MolecularWeight: 676.5073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)C(=O)OC)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=[N+](C=C(C=C1)C(=O)OC)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C34H30NO9.BrH/c1-22-18-19-26(31(36)40-2)20-35(22)30-29(44-34(39)25-16-10-5-11-17-25)28(43-33(38)24-14-8-4-9-15-24)27(42-30)21-41-32(37)23-12-6-3-7-13-23;/h3-20,27-30H,21H2,1-2H3;1H/q+1;/p-1