[3-[methyl(6-phenoxyhexyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[methyl(6-phenoxyhexyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-[methyl(6-phenoxyhexyl)amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[methyl(6-phenoxyhexyl)amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-[methyl(6-phenoxyhexyl)amino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-[methyl(6-phenoxyhexyl)amino]-1-phosphono-propyl]phosphonic acid Formula: C16H29NO8P2 MolecularWeight: 425.350882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCOC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CN(CCCCCCOC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C16H29NO8P2/c1-17(13-11-16(18,26(19,20)21)27(22,23)24)12-7-2-3-8-14-25-15-9-5-4-6-10-15/h4-6,9-10,18H,2-3,7-8,11-14H2,1H3,(H2,19,20,21)(H2,22,23,24)