[1-oxidanyl-3-[2-[(phenylmethyl)amino]cyclohexyl]-1-phosphono-propyl]phosphonic acid

Systemtic Name: [1-oxidanyl-3-[2-[(phenylmethyl)amino]cyclohexyl]-1-phosphono-propyl]phosphonic acid Openeye Name: [3-[2-(benzylamino)cyclohexyl]-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[2-[(phenylmethyl)amino]cyclohexyl]-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-[2-(benzylamino)cyclohexyl]-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-[2-(benzylamino)cyclohexyl]-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C16H27NO7P2 MolecularWeight: 407.335602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CCC(O)(P(=O)(O)O)P(=O)(O)O)NCC2=CC=CC=C2

Isomeric SMILES

C1CCC(C(C1)CCC(O)(P(=O)(O)O)P(=O)(O)O)NCC2=CC=CC=C2

InChI

InChI=1S/C16H27NO7P2/c18-16(25(19,20)21,26(22,23)24)11-10-14-8-4-5-9-15(14)17-12-13-6-2-1-3-7-13/h1-3,6-7,14-15,17-18H,4-5,8-12H2,(H2,19,20,21)(H2,22,23,24)