2,3-diisocyanato-3,5,5-trimethyl-cyclohexan-1-one; prop-2-enoic acid

Systemtic Name: 2,3-diisocyanato-3,5,5-trimethyl-cyclohexan-1-one; prop-2-enoic acid Openeye Name: acrylic acid; 2,3-diisocyanato-3,5,5-trimethyl-cyclohexanone CAS Name: 2,3-diisocyanato-3,5,5-trimethyl-1-cyclohexanone; 2-propenoic acid IUPAC Name: 2,3-diisocyanato-3,5,5-trimethylcyclohexan-1-one; prop-2-enoic acid Traditional Name: acrylic acid; 2,3-diisocyanato-3,5,5-trimethyl-cyclohexanone Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(C1)(C)N=C=O)N=C=O)C.C=CC(=O)O

Isomeric SMILES

CC1(CC(=O)C(C(C1)(C)N=C=O)N=C=O)C.C=CC(=O)O

InChI

InChI=1S/C11H14N2O3.C3H4O2/c1-10(2)4-8(16)9(12-6-14)11(3,5-10)13-7-15;1-2-3(4)5/h9H,4-5H2,1-3H3;2H,1H2,(H,4,5)