bis[7-(diethoxyphosphorylmethyl)-3-oxidanylidene-1,2-dihydroinden-2-yl] 1H-imidazole-2,5-dicarboxylate

Systemtic Name: bis[7-(diethoxyphosphorylmethyl)-3-oxidanylidene-1,2-dihydroinden-2-yl] 1H-imidazole-2,5-dicarboxylate Openeye Name: bis[4-(diethoxyphosphorylmethyl)-1-oxo-indan-2-yl] 1H-imidazole-2,5-dicarboxylate CAS Name: 1H-imidazole-2,5-dicarboxylic acid bis[7-(diethoxyphosphorylmethyl)-3-oxo-1,2-dihydroinden-2-yl] ester IUPAC Name: bis[7-(diethoxyphosphorylmethyl)-3-oxo-1,2-dihydroinden-2-yl] 1H-imidazole-2,5-dicarboxylate Traditional Name: 1H-imidazole-2,5-dicarboxylic acid bis[4-(diethoxyphosphorylmethyl)-1-keto-indan-2-yl] ester Formula: C33H38N2O12P2 MolecularWeight: 716.608542

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=CC2=C1CC(C2=O)OC(=O)C3=CN=C(N3)C(=O)OC4CC5=C(C4=O)C=CC=C5CP(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=CC2=C1CC(C2=O)OC(=O)C3=CN=C(N3)C(=O)OC4CC5=C(C4=O)C=CC=C5CP(=O)(OCC)OCC)OCC

InChI

InChI=1S/C33H38N2O12P2/c1-5-42-48(40,43-6-2)18-20-11-9-13-22-24(20)15-27(29(22)36)46-32(38)26-17-34-31(35-26)33(39)47-28-16-25-21(12-10-14-23(25)30(28)37)19-49(41,44-7-3)45-8-4/h9-14,17,27-28H,5-8,15-16,18-19H2,1-4H3,(H,34,35)