2-methyloctyl 6-phenylcyclohexa-1,3-diene-1-carboxylate

Systemtic Name: 2-methyloctyl 6-phenylcyclohexa-1,3-diene-1-carboxylate Openeye Name: 2-methyloctyl 6-phenylcyclohexa-1,3-diene-1-carboxylate CAS Name: 6-phenyl-1-cyclohexa-1,3-dienecarboxylic acid 2-methyloctyl ester IUPAC Name: 2-methyloctyl 6-phenylcyclohexa-1,3-diene-1-carboxylate Traditional Name: 6-phenylcyclohexa-1,3-diene-1-carboxylic acid 2-methyloctyl ester Formula: C22H30O2 MolecularWeight: 326.4724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)COC(=O)C1=CC=CCC1C2=CC=CC=C2

Isomeric SMILES

CCCCCCC(C)COC(=O)C1=CC=CCC1C2=CC=CC=C2

InChI

InChI=1S/C22H30O2/c1-3-4-5-7-12-18(2)17-24-22(23)21-16-11-10-15-20(21)19-13-8-6-9-14-19/h6,8-11,13-14,16,18,20H,3-5,7,12,15,17H2,1-2H3