1,3-diisocyanato-2-methyl-benzene; ethanol; hexanedioic acid; 2-hydroxyethyl prop-2-enoate

Systemtic Name: 1,3-diisocyanato-2-methyl-benzene; ethanol; hexanedioic acid; 2-hydroxyethyl prop-2-enoate Openeye Name: adipic acid; 1,3-diisocyanato-2-methyl-benzene; ethanol; 2-hydroxyethyl prop-2-enoate CAS Name: 1,3-diisocyanato-2-methylbenzene; ethanol; hexanedioic acid; 2-propenoic acid 2-hydroxyethyl ester IUPAC Name: 1,3-diisocyanato-2-methylbenzene; ethanol; hexanedioic acid; 2-hydroxyethyl prop-2-enoate Traditional Name: acrylic acid 2-hydroxyethyl ester; adipic acid; 1,3-diisocyanato-2-methyl-benzene; ethanol Formula: C22H30N2O10 MolecularWeight: 482.481

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CC1=C(C=CC=C1N=C=O)N=C=O.C=CC(=O)OCCO.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCO.CC1=C(C=CC=C1N=C=O)N=C=O.C=CC(=O)OCCO.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C9H6N2O2.C6H10O4.C5H8O3.C2H6O/c1-7-8(10-5-12)3-2-4-9(7)11-6-13;7-5(8)3-1-2-4-6(9)10;1-2-5(7)8-4-3-6;1-2-3/h2-4H,1H3;1-4H2,(H,7,8)(H,9,10);2,6H,1,3-4H2;3H,2H2,1H3