2-(2-oxidanyl-3-oxidanylidene-5-propan-2-yl-cyclohepta-1,4,6-trien-1-yl)ethanoic acid

Systemtic Name: 2-(2-oxidanyl-3-oxidanylidene-5-propan-2-yl-cyclohepta-1,4,6-trien-1-yl)ethanoic acid Openeye Name: 2-(2-hydroxy-5-isopropyl-3-oxo-cyclohepta-1,4,6-trien-1-yl)acetic acid CAS Name: 2-(2-hydroxy-3-oxo-5-propan-2-yl-1-cyclohepta-1,4,6-trienyl)acetic acid IUPAC Name: 2-(2-hydroxy-3-oxo-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)acetic acid Traditional Name: 2-(2-hydroxy-5-isopropyl-3-keto-cyclohepta-1,4,6-trien-1-yl)acetic acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)C(=C(C=C1)CC(=O)O)O

Isomeric SMILES

CC(C)C1=CC(=O)C(=C(C=C1)CC(=O)O)O

InChI

InChI=1S/C12H14O4/c1-7(2)8-3-4-9(6-11(14)15)12(16)10(13)5-8/h3-5,7H,6H2,1-2H3,(H,13,16)(H,14,15)