1,6-diisocyanatohexane; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; hexanedioic acid

Systemtic Name: 1,6-diisocyanatohexane; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; hexanedioic acid Openeye Name: adipic acid; 1,6-diisocyanatohexane; 2,2-dimethylpropane-1,3-diol; ethylene glycol CAS Name: 1,6-diisocyanatohexane; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; hexanedioic acid IUPAC Name: 1,6-diisocyanatohexane; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; hexanedioic acid Traditional Name: adipic acid; 1,6-diisocyanatohexane; 2,2-dimethylpropane-1,3-diol; ethylene glycol Formula: C21H40N2O10 MolecularWeight: 480.5497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N2O2.C6H10O4.C5H12O2.C2H6O2/c11-7-9-5-3-1-2-4-6-10-8-12;7-5(8)3-1-2-4-6(9)10;1-5(2,3-6)4-7;3-1-2-4/h1-6H2;1-4H2,(H,7,8)(H,9,10);6-7H,3-4H2,1-2H3;3-4H,1-2H2