(2-iodanyl-4-methyl-phenyl) 4-tert-butylcyclohexene-1-carboxylate

Systemtic Name: (2-iodanyl-4-methyl-phenyl) 4-tert-butylcyclohexene-1-carboxylate Openeye Name: (2-iodo-4-methyl-phenyl) 4-tert-butylcyclohexene-1-carboxylate CAS Name: 4-tert-butyl-1-cyclohexenecarboxylic acid (2-iodo-4-methylphenyl) ester IUPAC Name: (2-iodo-4-methylphenyl) 4-tert-butylcyclohexene-1-carboxylate Traditional Name: 4-tert-butylcyclohexene-1-carboxylic acid (2-iodo-4-methyl-phenyl) ester Formula: C18H23IO2 MolecularWeight: 398.27849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CCC(CC2)C(C)(C)C)I

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CCC(CC2)C(C)(C)C)I

InChI

InChI=1S/C18H23IO2/c1-12-5-10-16(15(19)11-12)21-17(20)13-6-8-14(9-7-13)18(2,3)4/h5-6,10-11,14H,7-9H2,1-4H3