butane-1,4-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; carbonate

Systemtic Name: butane-1,4-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; carbonate Openeye Name: butane-1,4-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; carbonate CAS Name: butane-1,4-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; carbonate IUPAC Name: butane-1,4-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; carbonate Traditional Name: butane-1,4-diol; 1-isocyanato-4-(4-isocyanatobenzyl)benzene; carbonate Formula: C20H20N2O7-2 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CCO)CO.C(=O)([O-])[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CCO)CO.C(=O)([O-])[O-]

InChI

InChI=1S/C15H10N2O2.C4H10O2.CH2O3/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;5-3-1-2-4-6;2-1(3)4/h1-8H,9H2;5-6H,1-4H2;(H2,2,3,4)/p-2