[3-hexadecanoyl-4-(hydroxymethyl)-4-oxidanyl-5-oxidanylidene-1-(trimethylazaniumyl)icosan-2-yl] hydrogen phosphate

Systemtic Name: [3-hexadecanoyl-4-(hydroxymethyl)-4-oxidanyl-5-oxidanylidene-1-(trimethylazaniumyl)icosan-2-yl] hydrogen phosphate Openeye Name: [2-hexadecanoyl-3-hydroxy-3-(hydroxymethyl)-4-oxo-1-[(trimethylammonio)methyl]nonadecyl] hydrogen phosphate CAS Name: [4-hydroxy-4-(hydroxymethyl)-5-oxo-3-(1-oxohexadecyl)-1-(trimethylammonio)eicosan-2-yl] hydrogen phosphate IUPAC Name: [3-hexadecanoyl-4-hydroxy-4-(hydroxymethyl)-5-oxo-1-(trimethylazaniumyl)icosan-2-yl] hydrogen phosphate Traditional Name: [2-hexadecanoyl-3-hydroxy-4-keto-3-methylol-1-[(trimethylammonio)methyl]nonadecyl] hydrogen phosphate Formula: C40H80NO8P MolecularWeight: 734.038861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36(43)39(37(34-41(3,4)5)49-50(46,47)48)40(45,35-42)38(44)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h37,39,42,45H,6-35H2,1-5H3,(H-,46,47,48)