[4-hexadecanoyl-3,4-bis(oxidanyl)-6-oxidanylidene-1-(trimethylazaniumyl)henicosan-2-yl] hydrogen phosphate

Systemtic Name: [4-hexadecanoyl-3,4-bis(oxidanyl)-6-oxidanylidene-1-(trimethylazaniumyl)henicosan-2-yl] hydrogen phosphate Openeye Name: [3-hexadecanoyl-2,3-dihydroxy-5-oxo-1-[(trimethylammonio)methyl]icosyl] hydrogen phosphate CAS Name: [3,4-dihydroxy-6-oxo-4-(1-oxohexadecyl)-1-(trimethylammonio)heneicosan-2-yl] hydrogen phosphate IUPAC Name: [4-hexadecanoyl-3,4-dihydroxy-6-oxo-1-(trimethylazaniumyl)henicosan-2-yl] hydrogen phosphate Traditional Name: [3-hexadecanoyl-2,3-dihydroxy-5-keto-1-[(trimethylammonio)methyl]eicosyl] hydrogen phosphate Formula: C40H80NO8P MolecularWeight: 734.038861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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