2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane

Systemtic Name: 2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane Openeye Name: adipic acid; 2,2-dimethylpropane-1,3-diol; ethylene glycol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; isobenzofuran-1,3-dione; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane CAS Name: 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexane-1,6-diol; isobenzofuran-1,3-dione; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane IUPAC Name: 2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane Traditional Name: adipic acid; 2,2-dimethylpropane-1,3-diol; ethylene glycol; 2-ethyl-2-methylol-propane-1,3-diol; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; phthalic anhydride Formula: C45H78N2O18 MolecularWeight: 935.10342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.CC(C)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O.C(CO)O

Isomeric SMILES

CCC(CO)(CO)CO.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.CC(C)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O.C(CO)O

InChI

InChI=1S/C12H18N2O2.C8H4O3.C6H10O4.C6H14O3.C6H14O2.C5H12O2.C2H6O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15;9-7-5-3-1-2-4-6(5)8(10)11-7;7-5(8)3-1-2-4-6(9)10;1-2-6(3-7,4-8)5-9;7-5-3-1-2-4-6-8;1-5(2,3-6)4-7;3-1-2-4/h10H,4-7H2,1-3H3;1-4H;1-4H2,(H,7,8)(H,9,10);7-9H,2-5H2,1H3;7-8H,1-6H2;6-7H,3-4H2,1-2H3;3-4H,1-2H2