[3-(2-methylheptan-2-yl)cyclohexa-1,3-dien-1-yl] benzoate

Systemtic Name: [3-(2-methylheptan-2-yl)cyclohexa-1,3-dien-1-yl] benzoate Openeye Name: [3-(1,1-dimethylhexyl)cyclohexa-1,3-dien-1-yl] benzoate CAS Name: benzoic acid [3-(2-methylheptan-2-yl)-1-cyclohexa-1,3-dienyl] ester IUPAC Name: [3-(2-methylheptan-2-yl)cyclohexa-1,3-dien-1-yl] benzoate Traditional Name: benzoic acid [3-(1,1-dimethylhexyl)cyclohexa-1,3-dien-1-yl] ester Formula: C21H28O2 MolecularWeight: 312.44582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CCCC(=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC(C)(C)C1=CCCC(=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H28O2/c1-4-5-9-15-21(2,3)18-13-10-14-19(16-18)23-20(22)17-11-7-6-8-12-17/h6-8,11-13,16H,4-5,9-10,14-15H2,1-3H3