5-tert-butyl-1,3-diisocyanato-2-methyl-benzene

Systemtic Name: 5-tert-butyl-1,3-diisocyanato-2-methyl-benzene Openeye Name: 5-tert-butyl-1,3-diisocyanato-2-methyl-benzene CAS Name: 5-tert-butyl-1,3-diisocyanato-2-methylbenzene IUPAC Name: 5-tert-butyl-1,3-diisocyanato-2-methylbenzene Traditional Name: 5-tert-butyl-1,3-diisocyanato-2-methyl-benzene Formula: C13H14N2O2 MolecularWeight: 230.26246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N=C=O)C(C)(C)C)N=C=O

Isomeric SMILES

CC1=C(C=C(C=C1N=C=O)C(C)(C)C)N=C=O

InChI

InChI=1S/C13H14N2O2/c1-9-11(14-7-16)5-10(13(2,3)4)6-12(9)15-8-17/h5-6H,1-4H3