4-(4-tert-butylphenyl)-4-isocyanato-cyclohexan-1-one; ethene

Systemtic Name: 4-(4-tert-butylphenyl)-4-isocyanato-cyclohexan-1-one; ethene Openeye Name: 4-(4-tert-butylphenyl)-4-isocyanato-cyclohexanone; ethylene CAS Name: 4-(4-tert-butylphenyl)-4-isocyanato-1-cyclohexanone; ethene IUPAC Name: 4-(4-tert-butylphenyl)-4-isocyanatocyclohexan-1-one; ethene Traditional Name: 4-(4-tert-butylphenyl)-4-isocyanato-cyclohexanone; ethylene Formula: C19H25NO2 MolecularWeight: 299.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2(CCC(=O)CC2)N=C=O.C=C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2(CCC(=O)CC2)N=C=O.C=C

InChI

InChI=1S/C17H21NO2.C2H4/c1-16(2,3)13-4-6-14(7-5-13)17(18-12-19)10-8-15(20)9-11-17;1-2/h4-7H,8-11H2,1-3H3;1-2H2