phenyl 2-methylhexanoate

Systemtic Name: phenyl 2-methylhexanoate Openeye Name: phenyl 2-methylhexanoate CAS Name: 2-methylhexanoic acid phenyl ester IUPAC Name: phenyl 2-methylhexanoate Traditional Name: 2-methylhexanoic acid phenyl ester Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(=O)OC1=CC=CC=C1

Isomeric SMILES

CCCCC(C)C(=O)OC1=CC=CC=C1

InChI

InChI=1S/C13H18O2/c1-3-4-8-11(2)13(14)15-12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3