methyl octanoate; octan-2-ol; octan-2-one

Systemtic Name: methyl octanoate; octan-2-ol; octan-2-one Openeye Name: methyl octanoate; octan-2-ol; octan-2-one CAS Name: octanoic acid methyl ester; 2-octanol; 2-octanone IUPAC Name: methyl octanoate; octan-2-ol; octan-2-one Traditional Name: caprylic acid methyl ester; octan-2-ol; octan-2-one Formula: C25H52O4 MolecularWeight: 416.67798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC.CCCCCCC(C)O.CCCCCCC(=O)C

Isomeric SMILES

CCCCCCCC(=O)OC.CCCCCCC(C)O.CCCCCCC(=O)C

InChI

InChI=1S/C9H18O2.C8H18O.C8H16O/c1-3-4-5-6-7-8-9(10)11-2;2*1-3-4-5-6-7-8(2)9/h3-8H2,1-2H3;8-9H,3-7H2,1-2H3;3-7H2,1-2H3