4-isocyanato-2-(isocyanatomethyl)-1-pentyl-benzene

Systemtic Name: 4-isocyanato-2-(isocyanatomethyl)-1-pentyl-benzene Openeye Name: 4-isocyanato-2-(isocyanatomethyl)-1-pentyl-benzene CAS Name: 4-isocyanato-2-(isocyanatomethyl)-1-pentylbenzene IUPAC Name: 4-isocyanato-2-(isocyanatomethyl)-1-pentylbenzene Traditional Name: 1-amyl-4-isocyanato-2-(isocyanatomethyl)benzene Formula: C14H16N2O2 MolecularWeight: 244.28904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)N=C=O)CN=C=O

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)N=C=O)CN=C=O

InChI

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