hexanoic acid; 2-(hydroxymethyl)-2-(methoxymethyl)propane-1,3-diol; pentanoic acid

Systemtic Name: hexanoic acid; 2-(hydroxymethyl)-2-(methoxymethyl)propane-1,3-diol; pentanoic acid Openeye Name: hexanoic acid; 2-(hydroxymethyl)-2-(methoxymethyl)propane-1,3-diol; pentanoic acid CAS Name: hexanoic acid; 2-(hydroxymethyl)-2-(methoxymethyl)propane-1,3-diol; pentanoic acid IUPAC Name: hexanoic acid; 2-(hydroxymethyl)-2-(methoxymethyl)propane-1,3-diol; pentanoic acid Traditional Name: hexanoic acid; 2-(methoxymethyl)-2-methylol-propane-1,3-diol; valeric acid Formula: C17H36O8 MolecularWeight: 368.46294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)O.CCCCC(=O)O.COCC(CO)(CO)CO

Isomeric SMILES

CCCCCC(=O)O.CCCCC(=O)O.COCC(CO)(CO)CO

InChI

InChI=1S/C6H14O4.C6H12O2.C5H10O2/c1-10-5-6(2-7,3-8)4-9;1-2-3-4-5-6(7)8;1-2-3-4-5(6)7/h7-9H,2-5H2,1H3;2-5H2,1H3,(H,7,8);2-4H2,1H3,(H,6,7)