1-isocyanato-4-phenyl-benzene; sulfuryl diisocyanate

Systemtic Name: 1-isocyanato-4-phenyl-benzene; sulfuryl diisocyanate Openeye Name: 1-isocyanato-4-phenyl-benzene; sulfuryl isocyanate CAS Name: 1-isocyanato-4-phenylbenzene; sulfuryl diisocyanate IUPAC Name: 1-isocyanato-4-phenylbenzene; sulfuryl diisocyanate Traditional Name: 1-isocyanato-4-phenyl-benzene; sulfuryl isocyanate Formula: C15H9N3O5S MolecularWeight: 343.31406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)N=C=O.C(=NS(=O)(=O)N=C=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)N=C=O.C(=NS(=O)(=O)N=C=O)=O

InChI

InChI=1S/C13H9NO.C2N2O4S/c15-10-14-13-8-6-12(7-9-13)11-4-2-1-3-5-11;5-1-3-9(7,8)4-2-6/h1-9H;