[4-azanyl-1-(3-hexadecoxy-3-oxidanyl-propoxy)-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-azanyl-1-(3-hexadecoxy-3-oxidanyl-propoxy)-1-phosphono-butyl]phosphonic acid Openeye Name: [4-amino-1-(3-hexadecoxy-3-hydroxy-propoxy)-1-phosphono-butyl]phosphonic acid CAS Name: [4-amino-1-(3-hexadecoxy-3-hydroxypropoxy)-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-amino-1-(3-hexadecoxy-3-hydroxypropoxy)-1-phosphonobutyl]phosphonic acid Traditional Name: [4-amino-1-(3-cetyloxy-3-hydroxy-propoxy)-1-phosphono-butyl]phosphonic acid Formula: C23H51NO9P2 MolecularWeight: 547.599862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(CCOC(CCCN)(P(=O)(O)O)P(=O)(O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(CCOC(CCCN)(P(=O)(O)O)P(=O)(O)O)O

InChI

InChI=1S/C23H51NO9P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-32-22(25)17-21-33-23(18-16-19-24,34(26,27)28)35(29,30)31/h22,25H,2-21,24H2,1H3,(H2,26,27,28)(H2,29,30,31)