3,3-diisocyanato-6-phenethyl-cyclohexa-1,4-diene

Systemtic Name: 3,3-diisocyanato-6-phenethyl-cyclohexa-1,4-diene Openeye Name: 3,3-diisocyanato-6-phenethyl-cyclohexa-1,4-diene CAS Name: 3,3-diisocyanato-6-phenethylcyclohexa-1,4-diene IUPAC Name: 3,3-diisocyanato-6-phenethylcyclohexa-1,4-diene Traditional Name: 3,3-diisocyanato-6-phenethyl-cyclohexa-1,4-diene Formula: C16H14N2O2 MolecularWeight: 266.29456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2C=CC(C=C2)(N=C=O)N=C=O

Isomeric SMILES

C1=CC=C(C=C1)CCC2C=CC(C=C2)(N=C=O)N=C=O

InChI

InChI=1S/C16H14N2O2/c19-12-17-16(18-13-20)10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11,15H,6-7H2