2-methyloctyl 4-phenylcyclohexa-1,5-diene-1-carboxylate

Systemtic Name: 2-methyloctyl 4-phenylcyclohexa-1,5-diene-1-carboxylate Openeye Name: 2-methyloctyl 4-phenylcyclohexa-1,5-diene-1-carboxylate CAS Name: 4-phenyl-1-cyclohexa-1,5-dienecarboxylic acid 2-methyloctyl ester IUPAC Name: 2-methyloctyl 4-phenylcyclohexa-1,5-diene-1-carboxylate Traditional Name: 4-phenylcyclohexa-1,5-diene-1-carboxylic acid 2-methyloctyl ester Formula: C22H30O2 MolecularWeight: 326.4724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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