1-[bis(3-isocyanatocyclohexa-1,3-dien-1-yl)methyl]-3-isocyanato-cyclohexa-1,3-diene

Systemtic Name: 1-[bis(3-isocyanatocyclohexa-1,3-dien-1-yl)methyl]-3-isocyanato-cyclohexa-1,3-diene Openeye Name: 1-[bis(3-isocyanatocyclohexa-1,3-dien-1-yl)methyl]-3-isocyanato-cyclohexa-1,3-diene CAS Name: 1-[bis(3-isocyanato-1-cyclohexa-1,3-dienyl)methyl]-3-isocyanatocyclohexa-1,3-diene IUPAC Name: 1-[bis(3-isocyanatocyclohexa-1,3-dien-1-yl)methyl]-3-isocyanatocyclohexa-1,3-diene Traditional Name: 1-[bis(3-isocyanatocyclohexa-1,3-dien-1-yl)methyl]-3-isocyanato-cyclohexa-1,3-diene Formula: C22H19N3O3 MolecularWeight: 373.40456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=C1)N=C=O)C(C2=CC(=CCC2)N=C=O)C3=CC(=CCC3)N=C=O

Isomeric SMILES

C1CC(=CC(=C1)N=C=O)C(C2=CC(=CCC2)N=C=O)C3=CC(=CCC3)N=C=O

InChI

InChI=1S/C22H19N3O3/c26-13-23-19-7-1-4-16(10-19)22(17-5-2-8-20(11-17)24-14-27)18-6-3-9-21(12-18)25-15-28/h7-12,22H,1-6H2