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

Systemtic Name: [4-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [4-(1,3-dioxoisoindolin-2-yl)-1-hydroxy-1-phosphono-butyl]phosphonic acid CAS Name: [4-(1,3-dioxo-2-isoindolyl)-1-hydroxy-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-(1,3-dioxoisoindol-2-yl)-1-hydroxy-1-phosphonobutyl]phosphonic acid Traditional Name: (1-hydroxy-1-phosphono-4-phthalimido-butyl)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)CCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(O)(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)7-3-6-12(16,23(17,18)19)24(20,21)22/h1-2,4-5,16H,3,6-7H2,(H2,17,18,19)(H2,20,21,22)