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

Systemtic Name: [4-hexadecanoyl-3,4-bis(oxidanyl)-6-oxidanylidene-2-phosphonooxy-tricosyl]-trimethyl-azanium Openeye Name: (4-hexadecanoyl-3,4-dihydroxy-6-oxo-2-phosphonooxy-tricosyl)-trimethyl-ammonium CAS Name: [3,4-dihydroxy-6-oxo-4-(1-oxohexadecyl)-2-phosphonooxytricosyl]-trimethylammonium IUPAC Name: (4-hexadecanoyl-3,4-dihydroxy-6-oxo-2-phosphonooxytricosyl)-trimethylazanium Traditional Name: (4-hexadecanoyl-3,4-dihydroxy-6-keto-2-phosphonooxy-tricosyl)-trimethyl-ammonium Formula: C42H85NO8P+ MolecularWeight: 763.099961

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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)CCCCCCCCCCCCCCC)O

Isomeric SMILES

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

InChI

InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-38(44)36-42(47,41(46)39(37-43(3,4)5)51-52(48,49)50)40(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h39,41,46-47H,6-37H2,1-5H3,(H-,48,49,50)/p+1