butane-1,4-diol; 1,4-diisocyanatobenzene; hexanedioic acid

Systemtic Name: butane-1,4-diol; 1,4-diisocyanatobenzene; hexanedioic acid Openeye Name: adipic acid; butane-1,4-diol; 1,4-diisocyanatobenzene CAS Name: butane-1,4-diol; 1,4-diisocyanatobenzene; hexanedioic acid IUPAC Name: butane-1,4-diol; 1,4-diisocyanatobenzene; hexanedioic acid Traditional Name: adipic acid; butane-1,4-diol; 1,4-diisocyanatobenzene Formula: C18H24N2O8 MolecularWeight: 396.39176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CCO)CO

Isomeric SMILES

C1=CC(=CC=C1N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CCO)CO

InChI

InChI=1S/C8H4N2O2.C6H10O4.C4H10O2/c11-5-9-7-1-2-8(4-3-7)10-6-12;7-5(8)3-1-2-4-6(9)10;5-3-1-2-4-6/h1-4H;1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2