[diisocyanato(phenyl)methyl]benzene hydrate

Systemtic Name: [diisocyanato(phenyl)methyl]benzene hydrate Openeye Name: [diisocyanato(phenyl)methyl]benzene hydrate CAS Name: [diisocyanato(phenyl)methyl]benzene hydrate IUPAC Name: [diisocyanato(phenyl)methyl]benzene hydrate Traditional Name: [diisocyanato(phenyl)methyl]benzene hydrate Formula: C30H22N4O5 MolecularWeight: 518.51948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H10N2O2.H2O/c2*18-11-16-15(17-12-19,13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h2*1-10H;1H2