[3-[butyl(3-phenoxypropyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCOC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCN(CCCOC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

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