[1-oxidanyl-4-(phenylmethoxycarbonylamino)-1-phosphono-butyl]phosphonic acid

Systemtic Name: [1-oxidanyl-4-(phenylmethoxycarbonylamino)-1-phosphono-butyl]phosphonic acid Openeye Name: [4-(benzyloxycarbonylamino)-1-hydroxy-1-phosphono-butyl]phosphonic acid CAS Name: [1-hydroxy-4-(phenylmethoxycarbonylamino)-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-hydroxy-4-(phenylmethoxycarbonylamino)-1-phosphonobutyl]phosphonic acid Traditional Name: [4-(benzyloxycarbonylamino)-1-hydroxy-1-phosphono-butyl]phosphonic acid Formula: C12H19NO9P2 MolecularWeight: 383.228082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H19NO9P2/c14-11(22-9-10-5-2-1-3-6-10)13-8-4-7-12(15,23(16,17)18)24(19,20)21/h1-3,5-6,15H,4,7-9H2,(H,13,14)(H2,16,17,18)(H2,19,20,21)