2-[[1,2-bis(oxidanyl)-4-oxidanylidene-triaconta-5,7-diyn-3-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[1,2-bis(oxidanyl)-4-oxidanylidene-triaconta-5,7-diyn-3-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-(1,2-dihydroxyethyl)-2-oxo-octacosa-3,5-diynoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[(1,2-dihydroxy-4-oxotriaconta-5,7-diyn-3-yl)oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(1,2-dihydroxy-4-oxotriaconta-5,7-diyn-3-yl)oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-(1,2-dihydroxyethyl)-2-keto-octacosa-3,5-diynoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C35H65NO7P+ MolecularWeight: 642.866861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC#CC#CC(=O)C(C(CO)O)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC#CC#CC(=O)C(C(CO)O)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C35H64NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33(38)35(34(39)32-37)43-44(40,41)42-31-30-36(2,3)4/h34-35,37,39H,5-25,30-32H2,1-4H3/p+1