bis[4-(2-dimethylaminoethylamino)-2-oxidanyl-4-oxidanylidene-butyl] docosa-10,12-diynedioate

Systemtic Name: bis[4-(2-dimethylaminoethylamino)-2-oxidanyl-4-oxidanylidene-butyl] docosa-10,12-diynedioate Openeye Name: bis[4-(2-dimethylaminoethylamino)-2-hydroxy-4-oxo-butyl] docosa-10,12-diynedioate CAS Name: docosa-10,12-diynedioic acid bis[4-(2-dimethylaminoethylamino)-2-hydroxy-4-oxobutyl] ester IUPAC Name: bis[4-(2-dimethylaminoethylamino)-2-hydroxy-4-oxobutyl] docosa-10,12-diynedioate Traditional Name: docosa-10,12-diynedioic acid bis[4-(2-dimethylaminoethylamino)-2-hydroxy-4-keto-butyl] ester Formula: C38H66N4O8 MolecularWeight: 706.95264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)CC(COC(=O)CCCCCCCCC#CC#CCCCCCCCCC(=O)OCC(CC(=O)NCCN(C)C)O)O

Isomeric SMILES

CN(C)CCNC(=O)CC(COC(=O)CCCCCCCCC#CC#CCCCCCCCCC(=O)OCC(CC(=O)NCCN(C)C)O)O

InChI

InChI=1S/C38H66N4O8/c1-41(2)27-25-39-35(45)29-33(43)31-49-37(47)23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-38(48)50-32-34(44)30-36(46)40-26-28-42(3)4/h33-34,43-44H,9-32H2,1-4H3,(H,39,45)(H,40,46)