2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoic acid; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane

Systemtic Name: 2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoic acid; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane Openeye Name: adipic acid; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 3-hydroxy-2-(hydroxymethyl)-2-methyl-propanoic acid; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane CAS Name: 2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane IUPAC Name: 2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane Traditional Name: adipic acid; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 3-hydroxy-2-methyl-2-methylol-propionic acid; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane Formula: C37H68N2O14 MolecularWeight: 764.94082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)CO.CC(CO)(CO)C(=O)O.C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CC(C)(CO)CO.CC(CO)(CO)C(=O)O.C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C15H22N2O2.C6H10O4.C6H14O2.C5H10O4.C5H12O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;7-5(8)3-1-2-4-6(9)10;7-5-3-1-2-4-6-8;1-5(2-6,3-7)4(8)9;1-5(2,3-6)4-7/h12-15H,1-9H2;1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2;6-7H,2-3H2,1H3,(H,8,9);6-7H,3-4H2,1-2H3