2-isocyanato-5-(2-phenylpropan-2-yl)-1,3-di(propan-2-yl)benzene

Systemtic Name: 2-isocyanato-5-(2-phenylpropan-2-yl)-1,3-di(propan-2-yl)benzene Openeye Name: 2-isocyanato-1,3-diisopropyl-5-(1-methyl-1-phenyl-ethyl)benzene CAS Name: 2-isocyanato-5-(2-phenylpropan-2-yl)-1,3-di(propan-2-yl)benzene IUPAC Name: 2-isocyanato-5-(2-phenylpropan-2-yl)-1,3-di(propan-2-yl)benzene Traditional Name: 5-cumyl-2-isocyanato-1,3-diisopropyl-benzene Formula: C22H27NO MolecularWeight: 321.45588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1N=C=O)C(C)C)C(C)(C)C2=CC=CC=C2

Isomeric SMILES

CC(C)C1=CC(=CC(=C1N=C=O)C(C)C)C(C)(C)C2=CC=CC=C2

InChI

InChI=1S/C22H27NO/c1-15(2)19-12-18(13-20(16(3)4)21(19)23-14-24)22(5,6)17-10-8-7-9-11-17/h7-13,15-16H,1-6H3