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

Systemtic Name: 1-heptyl-2-isocyanato-4-(isocyanatomethyl)benzene Openeye Name: 1-heptyl-2-isocyanato-4-(isocyanatomethyl)benzene CAS Name: 1-heptyl-2-isocyanato-4-(isocyanatomethyl)benzene IUPAC Name: 1-heptyl-2-isocyanato-4-(isocyanatomethyl)benzene Traditional Name: 1-heptyl-2-isocyanato-4-(isocyanatomethyl)benzene Formula: C16H20N2O2 MolecularWeight: 272.3422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)CN=C=O)N=C=O

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)CN=C=O)N=C=O

InChI

InChI=1S/C16H20N2O2/c1-2-3-4-5-6-7-15-9-8-14(11-17-12-19)10-16(15)18-13-20/h8-10H,2-7,11H2,1H3