1-azido-4-methyl-benzene; 2,6-ditert-butylcyclohexan-1-one

Systemtic Name: 1-azido-4-methyl-benzene; 2,6-ditert-butylcyclohexan-1-one Openeye Name: 1-azido-4-methyl-benzene; 2,6-ditert-butylcyclohexanone CAS Name: 1-azido-4-methylbenzene; 2,6-ditert-butyl-1-cyclohexanone IUPAC Name: 1-azido-4-methylbenzene; 2,6-ditert-butylcyclohexan-1-one Traditional Name: 1-azido-4-methyl-benzene; 2,6-ditert-butylcyclohexanone Formula: C21H33N3O MolecularWeight: 343.50622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=[N+]=[N-].CC(C)(C)C1CCCC(C1=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N=[N+]=[N-].CC(C)(C)C1CCCC(C1=O)C(C)(C)C

InChI

InChI=1S/C14H26O.C7H7N3/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;1-6-2-4-7(5-3-6)9-10-8/h10-11H,7-9H2,1-6H3;2-5H,1H3