[18-ethyl-16,19-bis(oxidanylidene)-18-phosphonooxy-tetratriacontan-17-yl]-trimethyl-azanium

Systemtic Name: [18-ethyl-16,19-bis(oxidanylidene)-18-phosphonooxy-tetratriacontan-17-yl]-trimethyl-azanium Openeye Name: (2-ethyl-1-hexadecanoyl-3-oxo-2-phosphonooxy-octadecyl)-trimethyl-ammonium CAS Name: (18-ethyl-16,19-dioxo-18-phosphonooxytetratriacontan-17-yl)-trimethylammonium IUPAC Name: (18-ethyl-16,19-dioxo-18-phosphonooxytetratriacontan-17-yl)-trimethylazanium Traditional Name: (2-ethyl-1-hexadecanoyl-3-keto-2-phosphonooxy-octadecyl)-trimethyl-ammonium Formula: C39H79NO6P+ MolecularWeight: 689.021421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C(CC)(C(=O)CCCCCCCCCCCCCCC)OP(=O)(O)O)[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C(CC)(C(=O)CCCCCCCCCCCCCCC)OP(=O)(O)O)[N+](C)(C)C

InChI

InChI=1S/C39H78NO6P/c1-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36(41)38(40(4,5)6)39(9-3,46-47(43,44)45)37(42)35-33-31-29-27-25-23-21-19-17-15-13-11-8-2/h38H,7-35H2,1-6H3,(H-,43,44,45)/p+1