prop-2-enoate; 3,5,5-trimethylcyclohex-2-en-1-one

Systemtic Name: prop-2-enoate; 3,5,5-trimethylcyclohex-2-en-1-one Openeye Name: prop-2-enoate; 3,5,5-trimethylcyclohex-2-en-1-one CAS Name: 2-propenoate; 3,5,5-trimethyl-1-cyclohex-2-enone IUPAC Name: prop-2-enoate; 3,5,5-trimethylcyclohex-2-en-1-one Traditional Name: acrylate; 3,5,5-trimethylcyclohex-2-en-1-one Formula: C12H17O3- MolecularWeight: 209.26158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CC(C1)(C)C.C=CC(=O)[O-]

Isomeric SMILES

CC1=CC(=O)CC(C1)(C)C.C=CC(=O)[O-]

InChI

InChI=1S/C9H14O.C3H4O2/c1-7-4-8(10)6-9(2,3)5-7;1-2-3(4)5/h4H,5-6H2,1-3H3;2H,1H2,(H,4,5)/p-1