2,2-bis(hydroxymethyl)propane-1,3-diol; 2-ethylhexanoic acid

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-ethylhexanoic acid Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-ethylhexanoic acid CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-ethylhexanoic acid IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-ethylhexanoic acid Traditional Name: 2,2-dimethylolpropane-1,3-diol; 2-ethylhexanoic acid Formula: C13H28O6 MolecularWeight: 280.35782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)O.C(C(CO)(CO)CO)O

Isomeric SMILES

CCCCC(CC)C(=O)O.C(C(CO)(CO)CO)O

InChI

InChI=1S/C8H16O2.C5H12O4/c1-3-5-6-7(4-2)8(9)10;6-1-5(2-7,3-8)4-9/h7H,3-6H2,1-2H3,(H,9,10);6-9H,1-4H2