[6-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-oxidanyl-1-phosphono-hexyl]phosphonic acid

Systemtic Name: [6-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-oxidanyl-1-phosphono-hexyl]phosphonic acid Openeye Name: [6-(1,3-dioxoisoindolin-2-yl)-1-hydroxy-1-phosphono-hexyl]phosphonic acid CAS Name: [6-(1,3-dioxo-2-isoindolyl)-1-hydroxy-1-phosphonohexyl]phosphonic acid IUPAC Name: [6-(1,3-dioxoisoindol-2-yl)-1-hydroxy-1-phosphonohexyl]phosphonic acid Traditional Name: (1-hydroxy-1-phosphono-6-phthalimido-hexyl)phosphonic acid Formula: C14H19NO9P2 MolecularWeight: 407.249482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO9P2/c16-12-10-6-2-3-7-11(10)13(17)15(12)9-5-1-4-8-14(18,25(19,20)21)26(22,23)24/h2-3,6-7,18H,1,4-5,8-9H2,(H2,19,20,21)(H2,22,23,24)