ethyl-dimethyl-[(E)-3-phosphonotricos-14-en-3-yl]azanium

Systemtic Name: ethyl-dimethyl-[(E)-3-phosphonotricos-14-en-3-yl]azanium Openeye Name: ethyl-[(E)-1-ethyl-1-phosphono-henicos-12-enyl]-dimethyl-ammonium CAS Name: ethyl-dimethyl-[(E)-3-phosphonotricos-14-en-3-yl]ammonium IUPAC Name: ethyl-dimethyl-[(E)-3-phosphonotricos-14-en-3-yl]azanium Traditional Name: ethyl-[(E)-1-ethyl-1-phosphono-heneicos-12-enyl]-dimethyl-ammonium Formula: C27H57NO3P+ MolecularWeight: 474.720141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCC(CC)([N+](C)(C)CC)P(=O)(O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCC(CC)([N+](C)(C)CC)P(=O)(O)O

InChI

InChI=1S/C27H56NO3P/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(7-2,32(29,30)31)28(4,5)8-3/h15-16H,6-14,17-26H2,1-5H3,(H-,29,30,31)/p+1/b16-15+