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

Systemtic Name: ethyl 1-[3,4-bis(phenylcarbonyloxy)-5-(phenylcarbonyloxymethyl)oxolan-2-yl]-5-bromanyl-pyridin-1-ium-3-carboxylate hydrobromide Openeye Name: ethyl 5-bromo-1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxylate hydrobromide CAS Name: 5-bromo-1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)-2-oxolanyl]-3-pyridin-1-iumcarboxylic acid ethyl ester hydrobromide IUPAC Name: ethyl 5-bromo-1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylate hydrobromide Traditional Name: 5-bromo-1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxylic acid ethyl ester hydrobromide Formula: C34H30Br2NO9+ MolecularWeight: 756.4113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=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)Br.Br

Isomeric SMILES

CCOC(=O)C1=CC(=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)Br.Br

InChI

InChI=1S/C34H29BrNO9.BrH/c1-2-41-32(38)25-18-26(35)20-36(19-25)30-29(45-34(40)24-16-10-5-11-17-24)28(44-33(39)23-14-8-4-9-15-23)27(43-30)21-42-31(37)22-12-6-3-7-13-22;/h3-20,27-30H,2,21H2,1H3;1H/q+1;