isocyanatocyclohexane; 1-isocyanato-2-methylidene-cyclohexane; prop-2-enoic acid

Systemtic Name: isocyanatocyclohexane; 1-isocyanato-2-methylidene-cyclohexane; prop-2-enoic acid Openeye Name: acrylic acid; isocyanatocyclohexane; 1-isocyanato-2-methylene-cyclohexane CAS Name: isocyanatocyclohexane; 1-isocyanato-2-methylenecyclohexane; 2-propenoic acid IUPAC Name: isocyanatocyclohexane; 1-isocyanato-2-methylidenecyclohexane; prop-2-enoic acid Traditional Name: acrylic acid; isocyanatocyclohexane; 1-isocyanato-2-methylene-cyclohexane Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)O.C=C1CCCCC1N=C=O.C1CCC(CC1)N=C=O

Isomeric SMILES

C=CC(=O)O.C=C1CCCCC1N=C=O.C1CCC(CC1)N=C=O

InChI

InChI=1S/C8H11NO.C7H11NO.C3H4O2/c1-7-4-2-3-5-8(7)9-6-10;9-6-8-7-4-2-1-3-5-7;1-2-3(4)5/h8H,1-5H2;7H,1-5H2;2H,1H2,(H,4,5)