1,3-diisocyanato-2-methyl-benzene; hexanedioic acid; 2-methyloxirane; oxirane

Systemtic Name: 1,3-diisocyanato-2-methyl-benzene; hexanedioic acid; 2-methyloxirane; oxirane Openeye Name: adipic acid; 1,3-diisocyanato-2-methyl-benzene; 2-methyloxirane; oxirane CAS Name: 1,3-diisocyanato-2-methylbenzene; hexanedioic acid; 2-methyloxirane; oxirane IUPAC Name: 1,3-diisocyanato-2-methylbenzene; hexanedioic acid; 2-methyloxirane; oxirane Traditional Name: adipic acid; 1,3-diisocyanato-2-methyl-benzene; ethylene oxide; propylene oxide Formula: C20H26N2O8 MolecularWeight: 422.42904

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Descriptors Computed from Structure

Canonical SMILES:

CC1CO1.CC1=C(C=CC=C1N=C=O)N=C=O.C1CO1.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CC1CO1.CC1=C(C=CC=C1N=C=O)N=C=O.C1CO1.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C9H6N2O2.C6H10O4.C3H6O.C2H4O/c1-7-8(10-5-12)3-2-4-9(7)11-6-13;7-5(8)3-1-2-4-6(9)10;1-3-2-4-3;1-2-3-1/h2-4H,1H3;1-4H2,(H,7,8)(H,9,10);3H,2H2,1H3;1-2H2