ethyl 2-methyl-2-phenyl-hexanoate; ethyl 2-phenylhexanoate

Systemtic Name: ethyl 2-methyl-2-phenyl-hexanoate; ethyl 2-phenylhexanoate Openeye Name: ethyl 2-methyl-2-phenyl-hexanoate; ethyl 2-phenylhexanoate CAS Name: 2-methyl-2-phenylhexanoic acid ethyl ester; 2-phenylhexanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-2-phenylhexanoate; ethyl 2-phenylhexanoate Traditional Name: 2-methyl-2-phenyl-hexanoic acid ethyl ester; 2-phenylhexanoic acid ethyl ester Formula: C29H42O4 MolecularWeight: 454.64138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC=C1)C(=O)OCC.CCCCC(C)(C1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCCCC(C1=CC=CC=C1)C(=O)OCC.CCCCC(C)(C1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C15H22O2.C14H20O2/c1-4-6-12-15(3,14(16)17-5-2)13-10-8-7-9-11-13;1-3-5-11-13(14(15)16-4-2)12-9-7-6-8-10-12/h7-11H,4-6,12H2,1-3H3;6-10,13H,3-5,11H2,1-2H3