(E,6R,7R)-7-(5-bromanyl-2-oxidanyl-phenyl)-6-methoxy-7-oxidanyl-hept-2-enoic acid

Systemtic Name: (E,6R,7R)-7-(5-bromanyl-2-oxidanyl-phenyl)-6-methoxy-7-oxidanyl-hept-2-enoic acid Openeye Name: (E,6R,7R)-7-(5-bromo-2-hydroxy-phenyl)-7-hydroxy-6-methoxy-hept-2-enoic acid CAS Name: (E,6R,7R)-7-(5-bromo-2-hydroxyphenyl)-7-hydroxy-6-methoxy-2-heptenoic acid IUPAC Name: (E,6R,7R)-7-(5-bromo-2-hydroxyphenyl)-7-hydroxy-6-methoxyhept-2-enoic acid Traditional Name: (E,6R,7R)-7-(5-bromo-2-hydroxy-phenyl)-7-hydroxy-6-methoxy-hept-2-enoic acid Formula: C14H17BrO5 MolecularWeight: 345.18578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrO5/c1-20-12(4-2-3-5-13(17)18)14(19)10-8-9(15)6-7-11(10)16/h3,5-8,12,14,16,19H,2,4H2,1H3,(H,17,18)/b5-3+/t12-,14-/m1/s1