4,4-bis(hydroxymethyl)-2-methyl-hexanoate

Systemtic Name: 4,4-bis(hydroxymethyl)-2-methyl-hexanoate Openeye Name: 4,4-bis(hydroxymethyl)-2-methyl-hexanoate CAS Name: 4,4-bis(hydroxymethyl)-2-methylhexanoate IUPAC Name: 4,4-bis(hydroxymethyl)-2-methylhexanoate Traditional Name: 2-methyl-4,4-dimethylol-hexanoate Formula: C9H17O4- MolecularWeight: 189.22888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)[O-])(CO)CO

Isomeric SMILES

CCC(CC(C)C(=O)[O-])(CO)CO

InChI

InChI=1S/C9H18O4/c1-3-9(5-10,6-11)4-7(2)8(12)13/h7,10-11H,3-6H2,1-2H3,(H,12,13)/p-1