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

Systemtic Name: (E,6S,7R)-7-(5-bromanyl-2-oxidanyl-phenyl)-6-methyl-7-oxidanyl-hept-2-enoic acid Openeye Name: (E,6S,7R)-7-(5-bromo-2-hydroxy-phenyl)-7-hydroxy-6-methyl-hept-2-enoic acid CAS Name: (E,6S,7R)-7-(5-bromo-2-hydroxyphenyl)-7-hydroxy-6-methyl-2-heptenoic acid IUPAC Name: (E,6S,7R)-7-(5-bromo-2-hydroxyphenyl)-7-hydroxy-6-methylhept-2-enoic acid Traditional Name: (E,6S,7R)-7-(5-bromo-2-hydroxy-phenyl)-7-hydroxy-6-methyl-hept-2-enoic acid Formula: C14H17BrO4 MolecularWeight: 329.18638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrO4/c1-9(4-2-3-5-13(17)18)14(19)11-8-10(15)6-7-12(11)16/h3,5-9,14,16,19H,2,4H2,1H3,(H,17,18)/b5-3+/t9-,14+/m0/s1