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

Systemtic Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene Openeye Name: 2,2-dimethylpropane-1,3-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene IUPAC Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene Traditional Name: 2,2-dimethylpropane-1,3-diol; 1-isocyanato-4-(4-isocyanatobenzyl)benzene; isophthalic acid Formula: C28H28N2O8 MolecularWeight: 520.53052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O

Isomeric SMILES

CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O

InChI

InChI=1S/C15H10N2O2.C8H6O4.C5H12O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;9-7(10)5-2-1-3-6(4-5)8(11)12;1-5(2,3-6)4-7/h1-8H,9H2;1-4H,(H,9,10)(H,11,12);6-7H,3-4H2,1-2H3