2-ethyl-4,4-bis(oxidanyl)cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 2-ethyl-4,4-bis(oxidanyl)cyclohexa-2,5-diene-1-carboxylate Openeye Name: 2-ethyl-4,4-dihydroxy-cyclohexa-2,5-diene-1-carboxylate CAS Name: 2-ethyl-4,4-dihydroxy-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 2-ethyl-4,4-dihydroxycyclohexa-2,5-diene-1-carboxylate Traditional Name: 2-ethyl-4,4-dihydroxy-cyclohexa-2,5-diene-1-carboxylate Formula: C9H11O4- MolecularWeight: 183.18124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(C=CC1C(=O)[O-])(O)O

Isomeric SMILES

CCC1=CC(C=CC1C(=O)[O-])(O)O

InChI

InChI=1S/C9H12O4/c1-2-6-5-9(12,13)4-3-7(6)8(10)11/h3-5,7,12-13H,2H2,1H3,(H,10,11)/p-1