1-tert-butyl-4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 1-tert-butyl-4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 1-tert-butyl-4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 1-tert-butyl-4-[(E)-3-hydroxy-3-oxoprop-1-enyl]-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 1-tert-butyl-4-[(E)-3-hydroxy-3-oxoprop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 1-tert-butyl-4-[(E)-3-hydroxy-3-keto-prop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4/c1-13(2,3)14(12(17)18)8-6-10(7-9-14)4-5-11(15)16/h4-8H,9H2,1-3H3,(H,15,16)(H,17,18)/b5-4+