(E,4S,5S)-5-(5-bromanyl-2-oxidanyl-phenyl)-4-methoxy-5-oxidanyl-pent-2-enoic acid

Systemtic Name: (E,4S,5S)-5-(5-bromanyl-2-oxidanyl-phenyl)-4-methoxy-5-oxidanyl-pent-2-enoic acid Openeye Name: (E,4S,5S)-5-(5-bromo-2-hydroxy-phenyl)-5-hydroxy-4-methoxy-pent-2-enoic acid CAS Name: (E,4S,5S)-5-(5-bromo-2-hydroxyphenyl)-5-hydroxy-4-methoxy-2-pentenoic acid IUPAC Name: (E,4S,5S)-5-(5-bromo-2-hydroxyphenyl)-5-hydroxy-4-methoxypent-2-enoic acid Traditional Name: (E,4S,5S)-5-(5-bromo-2-hydroxy-phenyl)-5-hydroxy-4-methoxy-pent-2-enoic acid Formula: C12H13BrO5 MolecularWeight: 317.13262

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Descriptors Computed from Structure

Canonical SMILES:

COC(C=CC(=O)O)C(C1=C(C=CC(=C1)Br)O)O

Isomeric SMILES

CO[C@@H](/C=C/C(=O)O)[C@H](C1=C(C=CC(=C1)Br)O)O

InChI

InChI=1S/C12H13BrO5/c1-18-10(4-5-11(15)16)12(17)8-6-7(13)2-3-9(8)14/h2-6,10,12,14,17H,1H3,(H,15,16)/b5-4+/t10-,12-/m0/s1