tert-butyl (5S)-5-oxidanylcyclohexa-1,3-diene-1-carboxylate

Systemtic Name: tert-butyl (5S)-5-oxidanylcyclohexa-1,3-diene-1-carboxylate Openeye Name: tert-butyl (5S)-5-hydroxycyclohexa-1,3-diene-1-carboxylate CAS Name: (5S)-5-hydroxy-1-cyclohexa-1,3-dienecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (5S)-5-hydroxycyclohexa-1,3-diene-1-carboxylate Traditional Name: (5S)-5-hydroxycyclohexa-1,3-diene-1-carboxylic acid tert-butyl ester Formula: C11H16O3 MolecularWeight: 196.24294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C[C@H](C1)O

InChI

InChI=1S/C11H16O3/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-6,9,12H,7H2,1-3H3/t9-/m1/s1