[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-dimethoxyphosphoryl-1-oxidanyl-butyl]phosphonic acid

Systemtic Name: [4-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-dimethoxyphosphoryl-1-oxidanyl-butyl]phosphonic acid Openeye Name: [1-dimethoxyphosphoryl-4-(1,3-dioxoisoindolin-2-yl)-1-hydroxy-butyl]phosphonic acid CAS Name: [1-dimethoxyphosphoryl-4-(1,3-dioxo-2-isoindolyl)-1-hydroxybutyl]phosphonic acid IUPAC Name: [1-dimethoxyphosphoryl-4-(1,3-dioxoisoindol-2-yl)-1-hydroxybutyl]phosphonic acid Traditional Name: (1-dimethoxyphosphoryl-1-hydroxy-4-phthalimido-butyl)phosphonic acid Formula: C14H19NO9P2 MolecularWeight: 407.249482

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(C(CCCN1C(=O)C2=CC=CC=C2C1=O)(O)P(=O)(O)O)OC

Isomeric SMILES

COP(=O)(C(CCCN1C(=O)C2=CC=CC=C2C1=O)(O)P(=O)(O)O)OC

InChI

InChI=1S/C14H19NO9P2/c1-23-26(22,24-2)14(18,25(19,20)21)8-5-9-15-12(16)10-6-3-4-7-11(10)13(15)17/h3-4,6-7,18H,5,8-9H2,1-2H3,(H2,19,20,21)