methyl 4-tert-butylcyclohexa-1,3-diene-1-carboxylate

Systemtic Name: methyl 4-tert-butylcyclohexa-1,3-diene-1-carboxylate Openeye Name: methyl 4-tert-butylcyclohexa-1,3-diene-1-carboxylate CAS Name: 4-tert-butyl-1-cyclohexa-1,3-dienecarboxylic acid methyl ester IUPAC Name: methyl 4-tert-butylcyclohexa-1,3-diene-1-carboxylate Traditional Name: 4-tert-butylcyclohexa-1,3-diene-1-carboxylic acid methyl ester Formula: C12H18O2 MolecularWeight: 194.27012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(CC1)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(CC1)C(=O)OC

InChI

InChI=1S/C12H18O2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5,7H,6,8H2,1-4H3