[17-ethyl-16,19-bis(oxidanylidene)-18-(trimethylazaniumyl)tetratriacontan-17-yl] hydrogen phosphate

Systemtic Name: [17-ethyl-16,19-bis(oxidanylidene)-18-(trimethylazaniumyl)tetratriacontan-17-yl] hydrogen phosphate Openeye Name: [1-ethyl-1-hexadecanoyl-3-oxo-2-(trimethylammonio)octadecyl] hydrogen phosphate CAS Name: [17-ethyl-16,19-dioxo-18-(trimethylammonio)tetratriacontan-17-yl] hydrogen phosphate IUPAC Name: [17-ethyl-16,19-dioxo-18-(trimethylazaniumyl)tetratriacontan-17-yl] hydrogen phosphate Traditional Name: [1-ethyl-1-hexadecanoyl-3-keto-2-(trimethylammonio)octadecyl] hydrogen phosphate Formula: C39H78NO6P MolecularWeight: 688.013481

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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)