ethanoic acid; methyl 6,6-dimethylcyclohexa-2,4-diene-1-carboxylate

Systemtic Name: ethanoic acid; methyl 6,6-dimethylcyclohexa-2,4-diene-1-carboxylate Openeye Name: acetic acid; methyl 6,6-dimethylcyclohexa-2,4-diene-1-carboxylate CAS Name: acetic acid; 6,6-dimethyl-1-cyclohexa-2,4-dienecarboxylic acid methyl ester IUPAC Name: acetic acid; methyl 6,6-dimethylcyclohexa-2,4-diene-1-carboxylate Traditional Name: acetic acid; 6,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid methyl ester Formula: C12H18O4 MolecularWeight: 226.26892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC1(C=CC=CC1C(=O)OC)C

Isomeric SMILES

CC(=O)O.CC1(C=CC=CC1C(=O)OC)C

InChI

InChI=1S/C10H14O2.C2H4O2/c1-10(2)7-5-4-6-8(10)9(11)12-3;1-2(3)4/h4-8H,1-3H3;1H3,(H,3,4)