1-isocyanato-4-(2-methylbutan-2-yl)benzene

Systemtic Name: 1-isocyanato-4-(2-methylbutan-2-yl)benzene Openeye Name: 1-(1,1-dimethylpropyl)-4-isocyanato-benzene CAS Name: 1-isocyanato-4-(2-methylbutan-2-yl)benzene IUPAC Name: 1-isocyanato-4-(2-methylbutan-2-yl)benzene Traditional Name: 1-tert-amyl-4-isocyanato-benzene Formula: C12H15NO MolecularWeight: 189.2536

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)N=C=O

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)N=C=O

InChI

InChI=1S/C12H15NO/c1-4-12(2,3)10-5-7-11(8-6-10)13-9-14/h5-8H,4H2,1-3H3