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

Systemtic Name: [3-[methyl(6-phenylhexyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-[methyl(6-phenylhexyl)amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[methyl(6-phenylhexyl)amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-[methyl(6-phenylhexyl)amino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-[methyl(6-phenylhexyl)amino]-1-phosphono-propyl]phosphonic acid Formula: C16H29NO7P2 MolecularWeight: 409.351482

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CN(CCCCCCC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C16H29NO7P2/c1-17(14-12-16(18,25(19,20)21)26(22,23)24)13-8-3-2-5-9-15-10-6-4-7-11-15/h4,6-7,10-11,18H,2-3,5,8-9,12-14H2,1H3,(H2,19,20,21)(H2,22,23,24)