6-[2-(hydroxymethyl)-2-[[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoyl]oxymethyl]-3-octadecanoyloxy-propoxy]-6-oxidanylidene-hexanoate

Systemtic Name: 6-[2-(hydroxymethyl)-2-[[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoyl]oxymethyl]-3-octadecanoyloxy-propoxy]-6-oxidanylidene-hexanoate Openeye Name: 6-[2-[[3-hydroxy-2-(hydroxymethyl)-2-methyl-propanoyl]oxymethyl]-2-(hydroxymethyl)-3-octadecanoyloxy-propoxy]-6-oxo-hexanoate CAS Name: 6-[2-[[3-hydroxy-2-(hydroxymethyl)-2-methyl-1-oxopropoxy]methyl]-2-(hydroxymethyl)-3-(1-oxooctadecoxy)propoxy]-6-oxohexanoate IUPAC Name: 6-[2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-(hydroxymethyl)-3-octadecanoyloxypropoxy]-6-oxohexanoate Traditional Name: 6-[2-[(3-hydroxy-2-methyl-2-methylol-propanoyl)oxymethyl]-2-methylol-3-stearoyloxy-propoxy]-6-keto-hexanoate Formula: C34H61O11- MolecularWeight: 645.84154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCC(=O)[O-])COC(=O)C(C)(CO)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCC(=O)[O-])COC(=O)C(C)(CO)CO

InChI

InChI=1S/C34H62O11/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-30(40)43-26-34(25-37,28-45-32(42)33(2,23-35)24-36)27-44-31(41)22-19-18-20-29(38)39/h35-37H,3-28H2,1-2H3,(H,38,39)/p-1