1-(1,12-diisocyanatododecyl)-2-(1-isocyanatoethyl)-5-(isocyanatomethyl)-3,4,6-trimethyl-benzene

Systemtic Name: 1-(1,12-diisocyanatododecyl)-2-(1-isocyanatoethyl)-5-(isocyanatomethyl)-3,4,6-trimethyl-benzene Openeye Name: 1-(1,12-diisocyanatododecyl)-2-(1-isocyanatoethyl)-5-(isocyanatomethyl)-3,4,6-trimethyl-benzene CAS Name: 1-(1,12-diisocyanatododecyl)-2-(1-isocyanatoethyl)-5-(isocyanatomethyl)-3,4,6-trimethylbenzene IUPAC Name: 1-(1,12-diisocyanatododecyl)-2-(1-isocyanatoethyl)-5-(isocyanatomethyl)-3,4,6-trimethylbenzene Traditional Name: 1-(1,12-diisocyanatododecyl)-2-(1-isocyanatoethyl)-5-(isocyanatomethyl)-3,4,6-trimethyl-benzene Formula: C28H38N4O4 MolecularWeight: 494.62572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1CN=C=O)C)C(CCCCCCCCCCCN=C=O)N=C=O)C(C)N=C=O)C

Isomeric SMILES

CC1=C(C(=C(C(=C1CN=C=O)C)C(CCCCCCCCCCCN=C=O)N=C=O)C(C)N=C=O)C

InChI

InChI=1S/C28H38N4O4/c1-21-22(2)27(24(4)31-19-35)28(23(3)25(21)16-30-18-34)26(32-20-36)14-12-10-8-6-5-7-9-11-13-15-29-17-33/h24,26H,5-16H2,1-4H3