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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(N(C)CCC(O)(P(=O)(O)O)P(=O)(O)O)OC1=CC=CC=C1

Isomeric SMILES

CCCCCC(N(C)CCC(O)(P(=O)(O)O)P(=O)(O)O)OC1=CC=CC=C1

InChI

InChI=1S/C16H29NO8P2/c1-3-4-6-11-15(25-14-9-7-5-8-10-14)17(2)13-12-16(18,26(19,20)21)27(22,23)24/h5,7-10,15,18H,3-4,6,11-13H2,1-2H3,(H2,19,20,21)(H2,22,23,24)