2-hydroxyethyl 2-methylprop-2-enoate; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane; oxepan-2-one

Systemtic Name: 2-hydroxyethyl 2-methylprop-2-enoate; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane; oxepan-2-one Openeye Name: 2-hydroxyethyl 2-methylprop-2-enoate; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane; oxepan-2-one CAS Name: 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane; 2-methyl-2-propenoic acid 2-hydroxyethyl ester; 2-oxepanone IUPAC Name: 2-hydroxyethyl 2-methylprop-2-enoate; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane; oxepan-2-one Traditional Name: 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane; 2-methylacrylic acid 2-hydroxyethyl ester; oxepan-2-one Formula: C27H42N2O7 MolecularWeight: 506.63158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCCO.C1CCC(=O)OCC1.C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O

Isomeric SMILES

CC(=C)C(=O)OCCO.C1CCC(=O)OCC1.C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O

InChI

InChI=1S/C15H22N2O2.C6H10O3.C6H10O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;1-5(2)6(8)9-4-3-7;7-6-4-2-1-3-5-8-6/h12-15H,1-9H2;7H,1,3-4H2,2H3;1-5H2