1,2-diisocyanato-5-[(4-isocyanatophenyl)methyl]-3-methyl-benzene

Systemtic Name: 1,2-diisocyanato-5-[(4-isocyanatophenyl)methyl]-3-methyl-benzene Openeye Name: 1,2-diisocyanato-5-[(4-isocyanatophenyl)methyl]-3-methyl-benzene CAS Name: 1,2-diisocyanato-5-[(4-isocyanatophenyl)methyl]-3-methylbenzene IUPAC Name: 1,2-diisocyanato-5-[(4-isocyanatophenyl)methyl]-3-methylbenzene Traditional Name: 1,2-diisocyanato-5-(4-isocyanatobenzyl)-3-methyl-benzene Formula: C17H11N3O3 MolecularWeight: 305.28754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC2=CC=C(C=C2)N=C=O)N=C=O)N=C=O

Isomeric SMILES

CC1=C(C(=CC(=C1)CC2=CC=C(C=C2)N=C=O)N=C=O)N=C=O

InChI

InChI=1S/C17H11N3O3/c1-12-6-14(8-16(19-10-22)17(12)20-11-23)7-13-2-4-15(5-3-13)18-9-21/h2-6,8H,7H2,1H3