[1-oxidanyl-3-(phenylmethoxycarbonylamino)-1-phosphono-butyl]phosphonic acid

Systemtic Name: [1-oxidanyl-3-(phenylmethoxycarbonylamino)-1-phosphono-butyl]phosphonic acid Openeye Name: [3-(benzyloxycarbonylamino)-1-hydroxy-1-phosphono-butyl]phosphonic acid CAS Name: [1-hydroxy-3-(phenylmethoxycarbonylamino)-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-hydroxy-3-(phenylmethoxycarbonylamino)-1-phosphonobutyl]phosphonic acid Traditional Name: [3-(benzyloxycarbonylamino)-1-hydroxy-1-phosphono-butyl]phosphonic acid Formula: C12H19NO9P2 MolecularWeight: 383.228082

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(O)(P(=O)(O)O)P(=O)(O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(CC(O)(P(=O)(O)O)P(=O)(O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C12H19NO9P2/c1-9(7-12(15,23(16,17)18)24(19,20)21)13-11(14)22-8-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3,(H,13,14)(H2,16,17,18)(H2,19,20,21)