butane-1,4-diol; hexanedioic acid; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene

Systemtic Name: butane-1,4-diol; hexanedioic acid; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene Openeye Name: adipic acid; butane-1,4-diol; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene CAS Name: butane-1,4-diol; hexanedioic acid; 5-isocyanato-5-[(1-isocyanato-1-cyclohexa-2,4-dienyl)methyl]cyclohexa-1,3-diene IUPAC Name: butane-1,4-diol; hexanedioic acid; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene Traditional Name: adipic acid; butane-1,4-diol; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene Formula: C25H34N2O8 MolecularWeight: 490.54606

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1(CC2(CC=CC=C2)N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CCO)CO

Isomeric SMILES

C1C=CC=CC1(CC2(CC=CC=C2)N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CCO)CO

InChI

InChI=1S/C15H14N2O2.C6H10O4.C4H10O2/c18-12-16-14(7-3-1-4-8-14)11-15(17-13-19)9-5-2-6-10-15;7-5(8)3-1-2-4-6(9)10;5-3-1-2-4-6/h1-7,9H,8,10-11H2;1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2