(3-phenoxyphenyl)methyl 2-tert-butylhexanoate

Systemtic Name: (3-phenoxyphenyl)methyl 2-tert-butylhexanoate Openeye Name: (3-phenoxyphenyl)methyl 2-tert-butylhexanoate CAS Name: 2-tert-butylhexanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-tert-butylhexanoate Traditional Name: 2-tert-butylhexanoic acid (3-phenoxybenzyl) ester Formula: C23H30O3 MolecularWeight: 354.4825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CCCCC(C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C23H30O3/c1-5-6-15-21(23(2,3)4)22(24)25-17-18-11-10-14-20(16-18)26-19-12-8-7-9-13-19/h7-14,16,21H,5-6,15,17H2,1-4H3