(1S,6S)-6-[(R)-(5-bromanyl-2-methoxy-phenyl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[(R)-(5-bromanyl-2-methoxy-phenyl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(R)-(5-bromo-2-methoxy-phenyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(R)-(5-bromo-2-methoxyphenyl)-hydroxymethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(R)-(5-bromo-2-methoxyphenyl)-hydroxymethyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(R)-(5-bromo-2-methoxy-phenyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylate Formula: C15H16BrO4- MolecularWeight: 340.18914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2CC=CCC2C(=O)[O-])O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)[C@@H]([C@H]2CC=CC[C@@H]2C(=O)[O-])O

InChI

InChI=1S/C15H17BrO4/c1-20-13-7-6-9(16)8-12(13)14(17)10-4-2-3-5-11(10)15(18)19/h2-3,6-8,10-11,14,17H,4-5H2,1H3,(H,18,19)/p-1/t10-,11-,14+/m0/s1