disodium [4-[3-azanyl-6-chloranyl-4,5-bis(ethoxycarbonyl)pyridin-2-yl]phenyl] phosphate

Systemtic Name: disodium [4-[3-azanyl-6-chloranyl-4,5-bis(ethoxycarbonyl)pyridin-2-yl]phenyl] phosphate Openeye Name: disodium [4-[3-amino-6-chloro-4,5-bis(ethoxycarbonyl)-2-pyridyl]phenyl] phosphate CAS Name: disodium [4-[3-amino-6-chloro-4,5-bis(ethoxycarbonyl)-2-pyridinyl]phenyl] phosphate IUPAC Name: disodium [4-[3-amino-6-chloro-4,5-bis(ethoxycarbonyl)pyridin-2-yl]phenyl] phosphate Traditional Name: disodium [4-(3-amino-4,5-dicarbethoxy-6-chloro-2-pyridyl)phenyl] phosphate Formula: C17H16ClN2Na2O8P MolecularWeight: 488.723841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NC(=C1N)C2=CC=C(C=C2)OP(=O)([O-])[O-])Cl)C(=O)OCC.[Na+].[Na+]

Isomeric SMILES

CCOC(=O)C1=C(C(=NC(=C1N)C2=CC=C(C=C2)OP(=O)([O-])[O-])Cl)C(=O)OCC.[Na+].[Na+]

InChI

InChI=1S/C17H18ClN2O8P.2Na/c1-3-26-16(21)11-12(17(22)27-4-2)15(18)20-14(13(11)19)9-5-7-10(8-6-9)28-29(23,24)25;;/h5-8H,3-4,19H2,1-2H3,(H2,23,24,25);;/q;2*+1/p-2