[(9E,28E)-18,20-bis(oxidanylidene)-19-phosphono-heptatriaconta-9,28-dien-19-yl]-trimethyl-azanium

Systemtic Name: [(9E,28E)-18,20-bis(oxidanylidene)-19-phosphono-heptatriaconta-9,28-dien-19-yl]-trimethyl-azanium Openeye Name: trimethyl-[(E)-1-[(E)-octadec-9-enoyl]-2-oxo-1-phosphono-nonadec-10-enyl]ammonium CAS Name: [(9E,28E)-18,20-dioxo-19-phosphonoheptatriaconta-9,28-dien-19-yl]-trimethylammonium IUPAC Name: [(9E,28E)-18,20-dioxo-19-phosphonoheptatriaconta-9,28-dien-19-yl]-trimethylazanium Traditional Name: [(E)-2-keto-1-[(E)-octadec-9-enoyl]-1-phosphono-nonadec-10-enyl]-trimethyl-ammonium Formula: C40H77NO5P+ MolecularWeight: 683.016841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(C(=O)CCCCCCCC=CCCCCCCCC)([N+](C)(C)C)P(=O)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C40H76NO5P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(42)40(41(3,4)5,47(44,45)46)39(43)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23H,6-19,24-37H2,1-5H3,(H-,44,45,46)/p+1/b22-20+,23-21+