ethyl 1-[3,4-bis(phenylcarbonyloxy)-5-(phenylcarbonyloxymethyl)oxolan-2-yl]pyrimidin-1-ium-5-carboxylate

Systemtic Name: ethyl 1-[3,4-bis(phenylcarbonyloxy)-5-(phenylcarbonyloxymethyl)oxolan-2-yl]pyrimidin-1-ium-5-carboxylate Openeye Name: ethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)tetrahydrofuran-2-yl]pyrimidin-1-ium-5-carboxylate CAS Name: 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)-2-oxolanyl]-5-pyrimidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]pyrimidin-1-ium-5-carboxylate Traditional Name: 1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)tetrahydrofuran-2-yl]pyrimidin-1-ium-5-carboxylic acid ethyl ester Formula: C33H29N2O9+ MolecularWeight: 597.59136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C[N+](=C1)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CN=C[N+](=C1)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H29N2O9/c1-2-40-31(37)25-18-34-21-35(19-25)29-28(44-33(39)24-16-10-5-11-17-24)27(43-32(38)23-14-8-4-9-15-23)26(42-29)20-41-30(36)22-12-6-3-7-13-22/h3-19,21,26-29H,2,20H2,1H3/q+1