[4-hexadecanoyl-3,4-bis(oxidanyl)-6-oxidanylidene-2-phosphonooxy-henicosyl]-trimethyl-azanium

Systemtic Name: [4-hexadecanoyl-3,4-bis(oxidanyl)-6-oxidanylidene-2-phosphonooxy-henicosyl]-trimethyl-azanium Openeye Name: (4-hexadecanoyl-3,4-dihydroxy-6-oxo-2-phosphonooxy-henicosyl)-trimethyl-ammonium CAS Name: [3,4-dihydroxy-6-oxo-4-(1-oxohexadecyl)-2-phosphonooxyheneicosyl]-trimethylammonium IUPAC Name: (4-hexadecanoyl-3,4-dihydroxy-6-oxo-2-phosphonooxyhenicosyl)-trimethylazanium Traditional Name: (4-hexadecanoyl-3,4-dihydroxy-6-keto-2-phosphonooxy-heneicosyl)-trimethyl-ammonium Formula: C40H81NO8P+ MolecularWeight: 735.046801

Click to see the large picture

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)/p+1