2-ethyl-2-(hydroxymethyl)propane-1,3-diol; prop-2-enyl hydrogen carbonate

Systemtic Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; prop-2-enyl hydrogen carbonate Openeye Name: allyl hydrogen carbonate; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol CAS Name: carbonic acid prop-2-enyl ester; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; prop-2-enyl hydrogen carbonate Traditional Name: carbonic acid allyl ester; 2-ethyl-2-methylol-propane-1,3-diol Formula: C28H52O18 MolecularWeight: 676.70168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.CCC(CO)(CO)CO.C=CCOC(=O)O.C=CCOC(=O)O.C=CCOC(=O)O.C=CCOC(=O)O

Isomeric SMILES

CCC(CO)(CO)CO.CCC(CO)(CO)CO.C=CCOC(=O)O.C=CCOC(=O)O.C=CCOC(=O)O.C=CCOC(=O)O

InChI

InChI=1S/2C6H14O3.4C4H6O3/c2*1-2-6(3-7,4-8)5-9;4*1-2-3-7-4(5)6/h2*7-9H,2-5H2,1H3;4*2H,1,3H2,(H,5,6)