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

Systemtic Name: 4-butyl-2-isocyanato-1-(isocyanatomethyl)benzene Openeye Name: 4-butyl-2-isocyanato-1-(isocyanatomethyl)benzene CAS Name: 4-butyl-2-isocyanato-1-(isocyanatomethyl)benzene IUPAC Name: 4-butyl-2-isocyanato-1-(isocyanatomethyl)benzene Traditional Name: 4-butyl-2-isocyanato-1-(isocyanatomethyl)benzene Formula: C13H14N2O2 MolecularWeight: 230.26246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)CN=C=O)N=C=O

Isomeric SMILES

CCCCC1=CC(=C(C=C1)CN=C=O)N=C=O

InChI

InChI=1S/C13H14N2O2/c1-2-3-4-11-5-6-12(8-14-9-16)13(7-11)15-10-17/h5-7H,2-4,8H2,1H3