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

Systemtic Name: [2-[methyl(6-phenylhexyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-2-[methyl(6-phenylhexyl)amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-2-[methyl(6-phenylhexyl)amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[methyl(6-phenylhexyl)amino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-2-[methyl(6-phenylhexyl)amino]-1-phosphono-propyl]phosphonic acid Formula: C16H29NO7P2 MolecularWeight: 409.351482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(O)(P(=O)(O)O)P(=O)(O)O)N(C)CCCCCCC1=CC=CC=C1

Isomeric SMILES

CC(C(O)(P(=O)(O)O)P(=O)(O)O)N(C)CCCCCCC1=CC=CC=C1

InChI

InChI=1S/C16H29NO7P2/c1-14(16(18,25(19,20)21)26(22,23)24)17(2)13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12,14,18H,3-4,6,9-10,13H2,1-2H3,(H2,19,20,21)(H2,22,23,24)