2-ethyl-2-(hydroxymethyl)propane-1,3-diol; heptanoic acid

Systemtic Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; heptanoic acid Openeye Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; heptanoic acid CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; heptanoic acid IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; heptanoic acid Traditional Name: enanthic acid; 2-ethyl-2-methylol-propane-1,3-diol Formula: C13H28O5 MolecularWeight: 264.35842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)O.CCC(CO)(CO)CO

Isomeric SMILES

CCCCCCC(=O)O.CCC(CO)(CO)CO

InChI

InChI=1S/C7H14O2.C6H14O3/c1-2-3-4-5-6-7(8)9;1-2-6(3-7,4-8)5-9/h2-6H2,1H3,(H,8,9);7-9H,2-5H2,1H3