2-isocyanato-1-(3-isocyanatopentan-3-yl)-4-methyl-benzene

Systemtic Name: 2-isocyanato-1-(3-isocyanatopentan-3-yl)-4-methyl-benzene Openeye Name: 1-(1-ethyl-1-isocyanato-propyl)-2-isocyanato-4-methyl-benzene CAS Name: 2-isocyanato-1-(3-isocyanatopentan-3-yl)-4-methylbenzene IUPAC Name: 2-isocyanato-1-(3-isocyanatopentan-3-yl)-4-methylbenzene Traditional Name: 1-(1-ethyl-1-isocyanato-propyl)-2-isocyanato-4-methyl-benzene Formula: C14H16N2O2 MolecularWeight: 244.28904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O2/c1-4-14(5-2,16-10-18)12-7-6-11(3)8-13(12)15-9-17/h6-8H,4-5H2,1-3H3