3-fluoranyl-3,4,4-trimethyl-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 3-fluoranyl-3,4,4-trimethyl-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 3-fluoro-3,4,4-trimethyl-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 3-fluoro-3,4,4-trimethyl-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 3-fluoro-3,4,4-trimethylcyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 3-fluoro-3,4,4-trimethyl-cyclohexa-1,5-diene-1-carboxylic acid Formula: C10H13FO2 MolecularWeight: 184.207423

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(=CC1(C)F)C(=O)O)C

Isomeric SMILES

CC1(C=CC(=CC1(C)F)C(=O)O)C

InChI

InChI=1S/C10H13FO2/c1-9(2)5-4-7(8(12)13)6-10(9,3)11/h4-6H,1-3H3,(H,12,13)