2,2-dimethylpropane-1,3-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; oxepan-2-one

ChemSpider ID: 151578
Molecular Formula: C₂₆H₃₂N₂O₆
Monoisotopic mass: 468.226044 Da
Systematic name

2,2-dimethylpropane-1,3-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; oxepan-2-one
SMILES and InChIs

SMILES:

O=C1OCCCCC1.O=C=N\c1ccc(cc1)Cc2ccc(\N=C=O)cc2.OCC(C)(C)CO Copied

Std. InChI:

InChI=1S/C15H10N2O2.C6H10O2.C5H12O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;7-6-4-2-1-3-5-8-6;1-5(2,3-6)4-7/h1-8H,9H2;1-5H2;6-7H,3-4H2,1-2H3 Copied

Std. InChIKey:

YYATVQGPWSHHSF-UHFFFAOYSA-N Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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