1,3,4-tris(oxidanyl)butan-2-yl 2-methyloctanoate

Systemtic Name: 1,3,4-tris(oxidanyl)butan-2-yl 2-methyloctanoate Openeye Name: [2,3-dihydroxy-1-(hydroxymethyl)propyl] 2-methyloctanoate CAS Name: 2-methyloctanoic acid 1,3,4-trihydroxybutan-2-yl ester IUPAC Name: 1,3,4-trihydroxybutan-2-yl 2-methyloctanoate Traditional Name: 2-methylcaprylic acid (2,3-dihydroxy-1-methylol-propyl) ester Formula: C13H26O5 MolecularWeight: 262.34254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=O)OC(CO)C(CO)O

Isomeric SMILES

CCCCCCC(C)C(=O)OC(CO)C(CO)O

InChI

InChI=1S/C13H26O5/c1-3-4-5-6-7-10(2)13(17)18-12(9-15)11(16)8-14/h10-12,14-16H,3-9H2,1-2H3