6-ethanoyl-6-oxidanyl-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 6-ethanoyl-6-oxidanyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: 6-acetyl-6-hydroxy-cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-acetyl-6-hydroxy-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 6-acetyl-6-hydroxycyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-acetyl-6-hydroxy-cyclohexa-2,4-diene-1-carboxylate Formula: C9H9O4- MolecularWeight: 181.16536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C=CC=CC1C(=O)[O-])O

Isomeric SMILES

CC(=O)C1(C=CC=CC1C(=O)[O-])O

InChI

InChI=1S/C9H10O4/c1-6(10)9(13)5-3-2-4-7(9)8(11)12/h2-5,7,13H,1H3,(H,11,12)/p-1