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

Systemtic Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; tridecanoic acid Openeye Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; tridecanoic acid CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; tridecanoic acid IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; tridecanoic acid Traditional Name: 2-ethyl-2-methylol-propane-1,3-diol; tridecanoic acid Formula: C45H92O9 MolecularWeight: 777.20658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCC(=O)O.CCC(CO)(CO)CO

Isomeric SMILES

CCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCC(=O)O.CCC(CO)(CO)CO

InChI

InChI=1S/3C13H26O2.C6H14O3/c3*1-2-3-4-5-6-7-8-9-10-11-12-13(14)15;1-2-6(3-7,4-8)5-9/h3*2-12H2,1H3,(H,14,15);7-9H,2-5H2,1H3