[3-(1,3-benzodioxol-5-ylcarbonylamino)-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-(1,3-benzodioxol-5-ylcarbonylamino)-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(1,3-benzodioxole-5-carbonylamino)-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(1,3-benzodioxole-5-carbonylamino)-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-1-phosphono-3-(piperonyloylamino)propyl]phosphonic acid Formula: C11H15NO10P2 MolecularWeight: 383.185022

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H15NO10P2/c13-10(7-1-2-8-9(5-7)22-6-21-8)12-4-3-11(14,23(15,16)17)24(18,19)20/h1-2,5,14H,3-4,6H2,(H,12,13)(H2,15,16,17)(H2,18,19,20)