ethyl 5-[(1S,5R,6S)-5,6-bis(oxidanyl)cyclohex-2-en-1-yl]-2-oxidanyl-benzoate

Systemtic Name: ethyl 5-[(1S,5R,6S)-5,6-bis(oxidanyl)cyclohex-2-en-1-yl]-2-oxidanyl-benzoate Openeye Name: ethyl 5-[(1S,5R,6S)-5,6-dihydroxycyclohex-2-en-1-yl]-2-hydroxy-benzoate CAS Name: 5-[(1S,5R,6S)-5,6-dihydroxy-1-cyclohex-2-enyl]-2-hydroxybenzoic acid ethyl ester IUPAC Name: ethyl 5-[(1S,5R,6S)-5,6-dihydroxycyclohex-2-en-1-yl]-2-hydroxybenzoate Traditional Name: 5-[(1S,5R,6S)-5,6-dihydroxycyclohex-2-en-1-yl]-2-hydroxy-benzoic acid ethyl ester Formula: C15H18O5 MolecularWeight: 278.30042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)C2C=CCC(C2O)O)O

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)[C@@H]2C=CC[C@H]([C@H]2O)O)O

InChI

InChI=1S/C15H18O5/c1-2-20-15(19)11-8-9(6-7-12(11)16)10-4-3-5-13(17)14(10)18/h3-4,6-8,10,13-14,16-18H,2,5H2,1H3/t10-,13+,14-/m0/s1