[(E)-docos-13-enyl]-bis(4-methylhexan-3-yl)-phosphono-azanium

Systemtic Name: [(E)-docos-13-enyl]-bis(4-methylhexan-3-yl)-phosphono-azanium Openeye Name: [(E)-docos-13-enyl]-bis(1-ethyl-2-methyl-butyl)-phosphono-ammonium CAS Name: [(E)-docos-13-enyl]-bis(4-methylhexan-3-yl)-phosphonoammonium IUPAC Name: [(E)-docos-13-enyl]-bis(4-methylhexan-3-yl)-phosphonoazanium Traditional Name: [(E)-docos-13-enyl]-bis(1-ethyl-2-methyl-butyl)-phosphono-ammonium Formula: C36H75NO3P+ MolecularWeight: 600.959361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H74NO3P/c1-8-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-37(41(38,39)40,35(11-4)33(6)9-2)36(12-5)34(7)10-3/h19-20,33-36H,8-18,21-32H2,1-7H3,(H-,38,39,40)/p+1/b20-19+