methyl 1-(2-iodanyl-3-methyl-but-2-enyl)cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: methyl 1-(2-iodanyl-3-methyl-but-2-enyl)cyclohexa-2,5-diene-1-carboxylate Openeye Name: methyl 1-(2-iodo-3-methyl-but-2-enyl)cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-(2-iodo-3-methylbut-2-enyl)-1-cyclohexa-2,5-dienecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-iodo-3-methylbut-2-enyl)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-(2-iodo-3-methyl-but-2-enyl)cyclohexa-2,5-diene-1-carboxylic acid methyl ester Formula: C13H17IO2 MolecularWeight: 332.17735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17IO2/c1-10(2)11(14)9-13(12(15)16-3)7-5-4-6-8-13/h5-8H,4,9H2,1-3H3