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

Systemtic Name: [4-octadecanoyl-3,4-bis(oxidanyl)-6-oxidanylidene-1-(trimethylazaniumyl)tricosan-2-yl] hydrogen phosphate Openeye Name: [2,3-dihydroxy-3-octadecanoyl-5-oxo-1-[(trimethylammonio)methyl]docosyl] hydrogen phosphate CAS Name: [3,4-dihydroxy-6-oxo-4-(1-oxooctadecyl)-1-(trimethylammonio)tricosan-2-yl] hydrogen phosphate IUPAC Name: [3,4-dihydroxy-4-octadecanoyl-6-oxo-1-(trimethylazaniumyl)tricosan-2-yl] hydrogen phosphate Traditional Name: [2,3-dihydroxy-5-keto-3-stearoyl-1-[(trimethylammonio)methyl]docosyl] hydrogen phosphate Formula: C44H88NO8P MolecularWeight: 790.145181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)CC(C(C(C[N+](C)(C)C)OP(=O)(O)[O-])O)(C(=O)CCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)CC(C(C(C[N+](C)(C)C)OP(=O)(O)[O-])O)(C(=O)CCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40(46)38-44(49,43(48)41(39-45(3,4)5)53-54(50,51)52)42(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h41,43,48-49H,6-39H2,1-5H3,(H-,50,51,52)