1,4-diisocyanatocyclohexane; phenoxybenzene

Systemtic Name: 1,4-diisocyanatocyclohexane; phenoxybenzene Openeye Name: 1,4-diisocyanatocyclohexane; phenoxybenzene CAS Name: 1,4-diisocyanatocyclohexane; phenoxybenzene IUPAC Name: 1,4-diisocyanatocyclohexane; phenoxybenzene Traditional Name: 1,4-diisocyanatocyclohexane; phenoxybenzene Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N=C=O)N=C=O.C1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

C1CC(CCC1N=C=O)N=C=O.C1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C12H10O.C8H10N2O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;11-5-9-7-1-2-8(4-3-7)10-6-12/h1-10H;7-8H,1-4H2