tert-butyl 5-oxidanyl-6-sulfanyl-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: tert-butyl 5-oxidanyl-6-sulfanyl-cyclohexa-1,3-diene-1-carboxylate Openeye Name: tert-butyl 5-hydroxy-6-sulfanyl-cyclohexa-1,3-diene-1-carboxylate CAS Name: 5-hydroxy-6-mercapto-1-cyclohexa-1,3-dienecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-hydroxy-6-sulfanylcyclohexa-1,3-diene-1-carboxylate Traditional Name: 5-hydroxy-6-mercapto-cyclohexa-1,3-diene-1-carboxylic acid tert-butyl ester Formula: C11H16O3S MolecularWeight: 228.30794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC(C1S)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC(C1S)O

InChI

InChI=1S/C11H16O3S/c1-11(2,3)14-10(13)7-5-4-6-8(12)9(7)15/h4-6,8-9,12,15H,1-3H3