[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propoxy-phosphono-methyl]phosphonic acid

Systemtic Name: [3-[1,3-bis(oxidanylidene)isoindol-2-yl]propoxy-phosphono-methyl]phosphonic acid Openeye Name: [3-(1,3-dioxoisoindolin-2-yl)propoxy-phosphono-methyl]phosphonic acid CAS Name: [3-(1,3-dioxo-2-isoindolyl)propoxy-phosphonomethyl]phosphonic acid IUPAC Name: [3-(1,3-dioxoisoindol-2-yl)propoxy-phosphonomethyl]phosphonic acid Traditional Name: [phosphono(3-phthalimidopropoxy)methyl]phosphonic acid Formula: C12H15NO9P2 MolecularWeight: 379.196322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCOC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCOC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H15NO9P2/c14-10-8-4-1-2-5-9(8)11(15)13(10)6-3-7-22-12(23(16,17)18)24(19,20)21/h1-2,4-5,12H,3,6-7H2,(H2,16,17,18)(H2,19,20,21)