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3-(diethoxyphosphorylmethoxycarbonyl)isoquinoline-2,3-dicarboxylate

3-(diethoxyphosphorylmethoxycarbonyl)isoquinoline-2,3-dicarboxylate

Systemtic Name:3-(diethoxyphosphorylmethoxycarbonyl)isoquinoline-2,3-dicarboxylate
Openeye Name:3-(diethoxyphosphorylmethoxycarbonyl)isoquinoline-2,3-dicarboxylate
CAS Name:3-[diethoxyphosphorylmethoxy(oxo)methyl]isoquinoline-2,3-dicarboxylate
IUPAC Name:3-(diethoxyphosphorylmethoxycarbonyl)isoquinoline-2,3-dicarboxylate
Traditional Name:3-(diethoxyphosphorylmethoxycarbonyl)isoquinoline-2,3-dicarboxylate
Formula: C17H18NO9P-2
MolecularWeight: 411.299881
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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC(=O)C1(C=C2C=CC=CC2=CN1C(=O)[O-])C(=O)[O-])OCC


Isomeric SMILES

CCOP(=O)(COC(=O)C1(C=C2C=CC=CC2=CN1C(=O)[O-])C(=O)[O-])OCC


InChI

InChI=1S/C17H20NO9P/c1-3-26-28(24,27-4-2)11-25-15(21)17(14(19)20)9-12-7-5-6-8-13(12)10-18(17)16(22)23/h5-10H,3-4,11H2,1-2H3,(H,19,20)(H,22,23)/p-2


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