19-[3-(hydroxymethyl)-1,4-bis(oxidanyl)but-2-en-2-yl]-19-(18-oxidanidyl-18-oxidanylidene-octadecyl)heptatriacontanedioate

Systemtic Name: 19-[3-(hydroxymethyl)-1,4-bis(oxidanyl)but-2-en-2-yl]-19-(18-oxidanidyl-18-oxidanylidene-octadecyl)heptatriacontanedioate Openeye Name: 19-[3-hydroxy-1,2-bis(hydroxymethyl)prop-1-enyl]-19-(18-oxido-18-oxo-octadecyl)heptatriacontanedioate CAS Name: 19-[1,4-dihydroxy-3-(hydroxymethyl)but-2-en-2-yl]-19-(18-oxido-18-oxooctadecyl)heptatriacontanedioate IUPAC Name: 19-[1,4-dihydroxy-3-(hydroxymethyl)but-2-en-2-yl]-19-(18-oxido-18-oxooctadecyl)heptatriacontanedioate Traditional Name: 19-(3-hydroxy-1,2-dimethylol-prop-1-enyl)-19-(18-keto-18-oxido-octadecyl)heptatriacontanedioate Formula: C60H111O9-3 MolecularWeight: 976.51794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCC(=O)[O-])CCCCCCCCC(CCCCCCCCCCCCCCCCCC(=O)[O-])(CCCCCCCCCCCCCCCCCC(=O)[O-])C(=C(CO)CO)CO

Isomeric SMILES

C(CCCCCCCCC(=O)[O-])CCCCCCCCC(CCCCCCCCCCCCCCCCCC(=O)[O-])(CCCCCCCCCCCCCCCCCC(=O)[O-])C(=C(CO)CO)CO

InChI

InChI=1S/C60H114O9/c61-52-55(53-62)56(54-63)60(49-43-37-31-25-19-13-7-1-4-10-16-22-28-34-40-46-57(64)65,50-44-38-32-26-20-14-8-2-5-11-17-23-29-35-41-47-58(66)67)51-45-39-33-27-21-15-9-3-6-12-18-24-30-36-42-48-59(68)69/h61-63H,1-54H2,(H,64,65)(H,66,67)(H,68,69)/p-3