[(E)-3-butyl-2-phosphonooxy-icos-11-enyl]-diethyl-methyl-azanium

Systemtic Name: [(E)-3-butyl-2-phosphonooxy-icos-11-enyl]-diethyl-methyl-azanium Openeye Name: [(E)-3-butyl-2-phosphonooxy-icos-11-enyl]-diethyl-methyl-ammonium CAS Name: [(E)-3-butyl-2-phosphonooxyeicos-11-enyl]-diethyl-methylammonium IUPAC Name: [(E)-3-butyl-2-phosphonooxyicos-11-enyl]-diethyl-methylazanium Traditional Name: [(E)-3-butyl-2-phosphonooxy-eicos-11-enyl]-diethyl-methyl-ammonium Formula: C29H61NO4P+ MolecularWeight: 518.772701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(CCCC)C(C[N+](C)(CC)CC)OP(=O)(O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(CCCC)C(C[N+](C)(CC)CC)OP(=O)(O)O

InChI

InChI=1S/C29H60NO4P/c1-6-10-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28(25-11-7-2)29(34-35(31,32)33)27-30(5,8-3)9-4/h17-18,28-29H,6-16,19-27H2,1-5H3,(H-,31,32,33)/p+1/b18-17+