[1-oxidanyl-3-(4-phenylpiperazin-1-yl)-1-phosphono-propyl]phosphonic acid

Systemtic Name: [1-oxidanyl-3-(4-phenylpiperazin-1-yl)-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-(4-phenylpiperazin-1-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-(4-phenyl-1-piperazinyl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-(4-phenylpiperazin-1-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-(4-phenylpiperazino)-1-phosphono-propyl]phosphonic acid Formula: C13H22N2O7P2 MolecularWeight: 380.270502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(O)(P(=O)(O)O)P(=O)(O)O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1CCC(O)(P(=O)(O)O)P(=O)(O)O)C2=CC=CC=C2

InChI

InChI=1S/C13H22N2O7P2/c16-13(23(17,18)19,24(20,21)22)6-7-14-8-10-15(11-9-14)12-4-2-1-3-5-12/h1-5,16H,6-11H2,(H2,17,18,19)(H2,20,21,22)