1,3-diisocyanato-2-methyl-benzene; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 2-(2-hydroxyethyloxy)ethanol

Systemtic Name: 1,3-diisocyanato-2-methyl-benzene; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 2-(2-hydroxyethyloxy)ethanol Openeye Name: adipic acid; 1,3-diisocyanato-2-methyl-benzene; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 2-(2-hydroxyethoxy)ethanol CAS Name: 1,3-diisocyanato-2-methylbenzene; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 2-(2-hydroxyethoxy)ethanol IUPAC Name: 1,3-diisocyanato-2-methylbenzene; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 2-(2-hydroxyethoxy)ethanol Traditional Name: adipic acid; 1,3-diisocyanato-2-methyl-benzene; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 2-(2-hydroxyethoxy)ethanol Formula: C30H52N2O13 MolecularWeight: 648.73948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N=C=O)N=C=O.CC(C)(CO)CO.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O.C(COCCO)O

Isomeric SMILES

CC1=C(C=CC=C1N=C=O)N=C=O.CC(C)(CO)CO.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O.C(COCCO)O

InChI

InChI=1S/C9H6N2O2.C6H10O4.C6H14O2.C5H12O2.C4H10O3/c1-7-8(10-5-12)3-2-4-9(7)11-6-13;7-5(8)3-1-2-4-6(9)10;7-5-3-1-2-4-6-8;1-5(2,3-6)4-7;5-1-3-7-4-2-6/h2-4H,1H3;1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2;6-7H,3-4H2,1-2H3;5-6H,1-4H2