1,1'-biphenyl; 1,2-diisocyanato-3-phenyl-benzene; hydrate

Systemtic Name: 1,1'-biphenyl; 1,2-diisocyanato-3-phenyl-benzene; hydrate Openeye Name: biphenyl; 1,2-diisocyanato-3-phenyl-benzene; hydrate CAS Name: 1,1'-biphenyl; 1,2-diisocyanato-3-phenylbenzene; hydrate IUPAC Name: 1,1'-biphenyl; 1,2-diisocyanato-3-phenylbenzene; hydrate Traditional Name: biphenyl; 1,2-diisocyanato-3-phenyl-benzene; hydrate Formula: C26H20N2O3 MolecularWeight: 408.4486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8N2O2.C12H10.H2O/c17-9-15-13-8-4-7-12(14(13)16-10-18)11-5-2-1-3-6-11;1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1-8H;1-10H;1H2