4-(3-phosphonatopentan-3-yloxy)isoindole-1,3-dione

Systemtic Name: 4-(3-phosphonatopentan-3-yloxy)isoindole-1,3-dione Openeye Name: 4-(1-ethyl-1-phosphonato-propoxy)isoindoline-1,3-dione CAS Name: 4-(3-phosphonatopentan-3-yloxy)isoindole-1,3-dione IUPAC Name: 4-(3-phosphonatopentan-3-yloxy)isoindole-1,3-dione Traditional Name: 4-(1-ethyl-1-phosphonato-propoxy)isoindoline-1,3-quinone Formula: C13H14NO6P-2 MolecularWeight: 311.227121

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(OC1=CC=CC2=C1C(=O)NC2=O)P(=O)([O-])[O-]

Isomeric SMILES

CCC(CC)(OC1=CC=CC2=C1C(=O)NC2=O)P(=O)([O-])[O-]

InChI

InChI=1S/C13H16NO6P/c1-3-13(4-2,21(17,18)19)20-9-7-5-6-8-10(9)12(16)14-11(8)15/h5-7H,3-4H2,1-2H3,(H,14,15,16)(H2,17,18,19)/p-2