5-[bis(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]-5-isocyanato-cyclohexa-1,3-diene

Systemtic Name: 5-[bis(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]-5-isocyanato-cyclohexa-1,3-diene Openeye Name: 5-[bis(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]-5-isocyanato-cyclohexa-1,3-diene CAS Name: 5-[bis(1-isocyanato-1-cyclohexa-2,4-dienyl)methyl]-5-isocyanatocyclohexa-1,3-diene IUPAC Name: 5-[bis(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]-5-isocyanatocyclohexa-1,3-diene Traditional Name: 5-[bis(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]-5-isocyanato-cyclohexa-1,3-diene Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1(C(C2(CC=CC=C2)N=C=O)C3(CC=CC=C3)N=C=O)N=C=O

Isomeric SMILES

C1C=CC=CC1(C(C2(CC=CC=C2)N=C=O)C3(CC=CC=C3)N=C=O)N=C=O

InChI

InChI=1S/C22H19N3O3/c26-16-23-20(10-4-1-5-11-20)19(21(24-17-27)12-6-2-7-13-21)22(25-18-28)14-8-3-9-15-22/h1-10,12,14,19H,11,13,15H2