ethane-1,2-diol; hexanedioic acid; 2-hydroxyethyl prop-2-enoate; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane

Systemtic Name: ethane-1,2-diol; hexanedioic acid; 2-hydroxyethyl prop-2-enoate; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane Openeye Name: adipic acid; ethylene glycol; 2-hydroxyethyl prop-2-enoate; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane CAS Name: ethane-1,2-diol; hexanedioic acid; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane; 2-propenoic acid 2-hydroxyethyl ester IUPAC Name: ethane-1,2-diol; hexanedioic acid; 2-hydroxyethyl prop-2-enoate; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane Traditional Name: acrylic acid 2-hydroxyethyl ester; adipic acid; ethylene glycol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane Formula: C28H46N2O11 MolecularWeight: 586.67164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2.C6H10O4.C5H8O3.C2H6O2/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;1-2-5(7)8-4-3-6;3-1-2-4/h12-15H,1-9H2;1-4H2,(H,7,8)(H,9,10);2,6H,1,3-4H2;3-4H,1-2H2