octan-2-one; octan-2-yl decanoate

Systemtic Name: octan-2-one; octan-2-yl decanoate Openeye Name: 1-methylheptyl decanoate; octan-2-one CAS Name: decanoic acid octan-2-yl ester; 2-octanone IUPAC Name: octan-2-one; octan-2-yl decanoate Traditional Name: capric acid 1-methylheptyl ester; octan-2-one Formula: C26H52O3 MolecularWeight: 412.68928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC(C)CCCCCC.CCCCCCC(=O)C

Isomeric SMILES

CCCCCCCCCC(=O)OC(C)CCCCCC.CCCCCCC(=O)C

InChI

InChI=1S/C18H36O2.C8H16O/c1-4-6-8-10-11-12-14-16-18(19)20-17(3)15-13-9-7-5-2;1-3-4-5-6-7-8(2)9/h17H,4-16H2,1-3H3;3-7H2,1-2H3