[1,2-bis(oxidanyl)-4-oxidanylidene-triaconta-11,13-diyn-3-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1,2-bis(oxidanyl)-4-oxidanylidene-triaconta-11,13-diyn-3-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-(1,2-dihydroxyethyl)-2-oxo-octacosa-9,11-diynyl] 2-(trimethylammonio)ethyl phosphate CAS Name: (1,2-dihydroxy-4-oxotriaconta-11,13-diyn-3-yl) 2-(trimethylammonio)ethyl phosphate IUPAC Name: (1,2-dihydroxy-4-oxotriaconta-11,13-diyn-3-yl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(1,2-dihydroxyethyl)-2-keto-octacosa-9,11-diynyl] 2-(trimethylammonio)ethyl phosphate Formula: C35H64NO7P MolecularWeight: 641.858921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC#CC#CCCCCCCC(=O)C(C(CO)O)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC#CC#CCCCCCCC(=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,5-19,24-32H2,1-4H3