diphenyl carbonate; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene

Systemtic Name: diphenyl carbonate; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene Openeye Name: diphenyl carbonate; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene CAS Name: carbonic acid diphenyl ester; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene IUPAC Name: diphenyl carbonate; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene Traditional Name: carbonic acid diphenyl ester; hexane-1,6-diol; 1-isocyanato-4-(4-isocyanatobenzyl)benzene Formula: C34H34N2O7 MolecularWeight: 582.64296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CCCO)CCO

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CCCO)CCO

InChI

InChI=1S/C15H10N2O2.C13H10O3.C6H14O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;7-5-3-1-2-4-6-8/h1-8H,9H2;1-10H;7-8H,1-6H2