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

Systemtic Name: butane-1,4-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; nonanedioic acid Openeye Name: butane-1,4-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; nonanedioic acid CAS Name: butane-1,4-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; nonanedioic acid IUPAC Name: butane-1,4-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; nonanedioic acid Traditional Name: azelaic acid; butane-1,4-diol; 1-isocyanato-4-(4-isocyanatobenzyl)benzene Formula: C28H36N2O8 MolecularWeight: 528.59404

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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(CCCC(=O)O)CCCC(=O)O.C(CCO)CO

Isomeric SMILES

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

InChI

InChI=1S/C15H10N2O2.C9H16O4.C4H10O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;10-8(11)6-4-2-1-3-5-7-9(12)13;5-3-1-2-4-6/h1-8H,9H2;1-7H2,(H,10,11)(H,12,13);5-6H,1-4H2