[3-hexadecanoyl-4-(hydroxymethyl)-4-oxidanyl-5-oxidanylidene-2-phosphonooxy-icosyl]-trimethyl-azanium

Systemtic Name: [3-hexadecanoyl-4-(hydroxymethyl)-4-oxidanyl-5-oxidanylidene-2-phosphonooxy-icosyl]-trimethyl-azanium Openeye Name: [3-hexadecanoyl-4-hydroxy-4-(hydroxymethyl)-5-oxo-2-phosphonooxy-icosyl]-trimethyl-ammonium CAS Name: [4-hydroxy-4-(hydroxymethyl)-5-oxo-3-(1-oxohexadecyl)-2-phosphonooxyeicosyl]-trimethylammonium IUPAC Name: [3-hexadecanoyl-4-hydroxy-4-(hydroxymethyl)-5-oxo-2-phosphonooxyicosyl]-trimethylazanium Traditional Name: (3-hexadecanoyl-4-hydroxy-5-keto-4-methylol-2-phosphonooxy-eicosyl)-trimethyl-ammonium Formula: C40H81NO8P+ MolecularWeight: 735.046801

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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)/p+1