9-(hydroxymethyl)-10-methyl-octadecanoate

Systemtic Name: 9-(hydroxymethyl)-10-methyl-octadecanoate Openeye Name: 9-(hydroxymethyl)-10-methyl-octadecanoate CAS Name: 9-(hydroxymethyl)-10-methyloctadecanoate IUPAC Name: 9-(hydroxymethyl)-10-methyloctadecanoate Traditional Name: 10-methyl-9-methylol-stearate Formula: C20H39O3- MolecularWeight: 327.52186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)C(CCCCCCCC(=O)[O-])CO

Isomeric SMILES

CCCCCCCCC(C)C(CCCCCCCC(=O)[O-])CO

InChI

InChI=1S/C20H40O3/c1-3-4-5-6-8-11-14-18(2)19(17-21)15-12-9-7-10-13-16-20(22)23/h18-19,21H,3-17H2,1-2H3,(H,22,23)/p-1