butane-1,4-diol; hexanedioic acid; 2-[4-(2-hydroxyethyloxy)phenoxy]ethanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene

Systemtic Name: butane-1,4-diol; hexanedioic acid; 2-[4-(2-hydroxyethyloxy)phenoxy]ethanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene Openeye Name: adipic acid; butane-1,4-diol; 2-[4-(2-hydroxyethoxy)phenoxy]ethanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene CAS Name: butane-1,4-diol; hexanedioic acid; 2-[4-(2-hydroxyethoxy)phenoxy]ethanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene IUPAC Name: butane-1,4-diol; hexanedioic acid; 2-[4-(2-hydroxyethoxy)phenoxy]ethanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene Traditional Name: adipic acid; butane-1,4-diol; 2-[4-(2-hydroxyethoxy)phenoxy]ethanol; 1-isocyanato-4-(4-isocyanatobenzyl)benzene Formula: C35H44N2O12 MolecularWeight: 684.73006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C1=CC(=CC=C1OCCO)OCCO.C(CCC(=O)O)CC(=O)O.C(CCO)CO

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C1=CC(=CC=C1OCCO)OCCO.C(CCC(=O)O)CC(=O)O.C(CCO)CO

InChI

InChI=1S/C15H10N2O2.C10H14O4.C6H10O4.C4H10O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;11-5-7-13-9-1-2-10(4-3-9)14-8-6-12;7-5(8)3-1-2-4-6(9)10;5-3-1-2-4-6/h1-8H,9H2;1-4,11-12H,5-8H2;1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2