diisocyanatomethane; isocyanatobenzene; methylbenzene

Systemtic Name: diisocyanatomethane; isocyanatobenzene; methylbenzene Openeye Name: diisocyanatomethane; isocyanatobenzene; toluene CAS Name: diisocyanatomethane; isocyanatobenzene; toluene IUPAC Name: diisocyanatomethane; isocyanatobenzene; toluene Traditional Name: diisocyanatomethane; isocyanatobenzene; toluene Formula: C24H20N4O4 MolecularWeight: 428.44

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1=CC=C(C=C1)N=C=O.C1=CC=C(C=C1)N=C=O.C(N=C=O)N=C=O

Isomeric SMILES

CC1=CC=CC=C1.C1=CC=C(C=C1)N=C=O.C1=CC=C(C=C1)N=C=O.C(N=C=O)N=C=O

InChI

InChI=1S/2C7H5NO.C7H8.C3H2N2O2/c2*9-6-8-7-4-2-1-3-5-7;1-7-5-3-2-4-6-7;6-2-4-1-5-3-7/h2*1-5H;2-6H,1H3;1H2