butane-1,4-diol; 1,6-diisocyanatohexane; hexanedioic acid; hexane-1,6-diol

Systemtic Name: butane-1,4-diol; 1,6-diisocyanatohexane; hexanedioic acid; hexane-1,6-diol Openeye Name: adipic acid; butane-1,4-diol; 1,6-diisocyanatohexane; hexane-1,6-diol CAS Name: butane-1,4-diol; 1,6-diisocyanatohexane; hexanedioic acid; hexane-1,6-diol IUPAC Name: butane-1,4-diol; 1,6-diisocyanatohexane; hexanedioic acid; hexane-1,6-diol Traditional Name: adipic acid; butane-1,4-diol; 1,6-diisocyanatohexane; hexane-1,6-diol Formula: C24H46N2O10 MolecularWeight: 522.62944

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCN=C=O)CCN=C=O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O.C(CCO)CO

Isomeric SMILES

C(CCCN=C=O)CCN=C=O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O.C(CCO)CO

InChI

InChI=1S/C8H12N2O2.C6H10O4.C6H14O2.C4H10O2/c11-7-9-5-3-1-2-4-6-10-8-12;7-5(8)3-1-2-4-6(9)10;7-5-3-1-2-4-6-8;5-3-1-2-4-6/h1-6H2;1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2;5-6H,1-4H2