(2-methoxy-5-phenyl-phenyl) 2-methyloctanoate

Systemtic Name: (2-methoxy-5-phenyl-phenyl) 2-methyloctanoate Openeye Name: (2-methoxy-5-phenyl-phenyl) 2-methyloctanoate CAS Name: 2-methyloctanoic acid (2-methoxy-5-phenylphenyl) ester IUPAC Name: (2-methoxy-5-phenylphenyl) 2-methyloctanoate Traditional Name: 2-methylcaprylic acid (2-methoxy-5-phenyl-phenyl) ester Formula: C22H28O3 MolecularWeight: 340.45592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=O)OC1=C(C=CC(=C1)C2=CC=CC=C2)OC

Isomeric SMILES

CCCCCCC(C)C(=O)OC1=C(C=CC(=C1)C2=CC=CC=C2)OC

InChI

InChI=1S/C22H28O3/c1-4-5-6-8-11-17(2)22(23)25-21-16-19(14-15-20(21)24-3)18-12-9-7-10-13-18/h7,9-10,12-17H,4-6,8,11H2,1-3H3