tert-butyl 4-chloranyl-2-methyl-cyclohexane-1-carboxylate; tert-butyl 5-chloranyl-2-methyl-cyclohexane-1-carboxylate

Systemtic Name: tert-butyl 4-chloranyl-2-methyl-cyclohexane-1-carboxylate; tert-butyl 5-chloranyl-2-methyl-cyclohexane-1-carboxylate Openeye Name: tert-butyl 4-chloro-2-methyl-cyclohexanecarboxylate; tert-butyl 5-chloro-2-methyl-cyclohexanecarboxylate CAS Name: 4-chloro-2-methyl-1-cyclohexanecarboxylic acid tert-butyl ester; 5-chloro-2-methyl-1-cyclohexanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-chloro-2-methylcyclohexane-1-carboxylate; tert-butyl 5-chloro-2-methylcyclohexane-1-carboxylate Traditional Name: 4-chloro-2-methyl-cyclohexanecarboxylic acid tert-butyl ester; 5-chloro-2-methyl-cyclohexanecarboxylic acid tert-butyl ester Formula: C24H42Cl2O4 MolecularWeight: 465.49388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1C(=O)OC(C)(C)C)Cl.CC1CC(CCC1C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1CCC(CC1C(=O)OC(C)(C)C)Cl.CC1CC(CCC1C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/2C12H21ClO2/c1-8-7-9(13)5-6-10(8)11(14)15-12(2,3)4;1-8-5-6-9(13)7-10(8)11(14)15-12(2,3)4/h2*8-10H,5-7H2,1-4H3