3-methylbutyl 2,4,5-tris(chloranyl)cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: 3-methylbutyl 2,4,5-tris(chloranyl)cyclohexa-1,3-diene-1-carboxylate Openeye Name: isopentyl 2,4,5-trichlorocyclohexa-1,3-diene-1-carboxylate CAS Name: 2,4,5-trichloro-1-cyclohexa-1,3-dienecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2,4,5-trichlorocyclohexa-1,3-diene-1-carboxylate Traditional Name: 2,4,5-trichlorocyclohexa-1,3-diene-1-carboxylic acid isoamyl ester Formula: C12H15Cl3O2 MolecularWeight: 297.6053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=C(C=C(C(C1)Cl)Cl)Cl

Isomeric SMILES

CC(C)CCOC(=O)C1=C(C=C(C(C1)Cl)Cl)Cl

InChI

InChI=1S/C12H15Cl3O2/c1-7(2)3-4-17-12(16)8-5-10(14)11(15)6-9(8)13/h6-7,10H,3-5H2,1-2H3