bis[1,3-benzodioxol-5-yl(dimethoxyphosphoryl)methyl] pyridine-2,6-dicarboxylate

Systemtic Name: bis[1,3-benzodioxol-5-yl(dimethoxyphosphoryl)methyl] pyridine-2,6-dicarboxylate Openeye Name: bis[1,3-benzodioxol-5-yl(dimethoxyphosphoryl)methyl] pyridine-2,6-dicarboxylate CAS Name: pyridine-2,6-dicarboxylic acid bis[1,3-benzodioxol-5-yl(dimethoxyphosphoryl)methyl] ester IUPAC Name: bis[1,3-benzodioxol-5-yl(dimethoxyphosphoryl)methyl] pyridine-2,6-dicarboxylate Traditional Name: pyridine-2,6-dicarboxylic acid bis[1,3-benzodioxol-5-yl(dimethoxyphosphoryl)methyl] ester Formula: C27H27NO14P2 MolecularWeight: 651.449102

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(C(C1=CC2=C(C=C1)OCO2)OC(=O)C3=NC(=CC=C3)C(=O)OC(C4=CC5=C(C=C4)OCO5)P(=O)(OC)OC)OC

Isomeric SMILES

COP(=O)(C(C1=CC2=C(C=C1)OCO2)OC(=O)C3=NC(=CC=C3)C(=O)OC(C4=CC5=C(C=C4)OCO5)P(=O)(OC)OC)OC

InChI

InChI=1S/C27H27NO14P2/c1-33-43(31,34-2)26(16-8-10-20-22(12-16)39-14-37-20)41-24(29)18-6-5-7-19(28-18)25(30)42-27(44(32,35-3)36-4)17-9-11-21-23(13-17)40-15-38-21/h5-13,26-27H,14-15H2,1-4H3