methyl hexanoate; 3-methylphenol

Systemtic Name: methyl hexanoate; 3-methylphenol Openeye Name: m-cresol; methyl hexanoate CAS Name: hexanoic acid methyl ester; 3-methylphenol IUPAC Name: methyl hexanoate; 3-methylphenol Traditional Name: hexanoic acid methyl ester; m-cresol Formula: C14H22O3 MolecularWeight: 238.32268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC.CC1=CC(=CC=C1)O

Isomeric SMILES

CCCCCC(=O)OC.CC1=CC(=CC=C1)O

InChI

InChI=1S/C7H14O2.C7H8O/c1-3-4-5-6-7(8)9-2;1-6-3-2-4-7(8)5-6/h3-6H2,1-2H3;2-5,8H,1H3