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

Systemtic Name: (E,6S,7S)-7-(5-bromanyl-2-oxidanyl-phenyl)-7-oxidanyl-6-phenoxy-hept-2-enoic acid Openeye Name: (E,6S,7S)-7-(5-bromo-2-hydroxy-phenyl)-7-hydroxy-6-phenoxy-hept-2-enoic acid CAS Name: (E,6S,7S)-7-(5-bromo-2-hydroxyphenyl)-7-hydroxy-6-phenoxy-2-heptenoic acid IUPAC Name: (E,6S,7S)-7-(5-bromo-2-hydroxyphenyl)-7-hydroxy-6-phenoxyhept-2-enoic acid Traditional Name: (E,6S,7S)-7-(5-bromo-2-hydroxy-phenyl)-7-hydroxy-6-phenoxy-hept-2-enoic acid Formula: C19H19BrO5 MolecularWeight: 407.25516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CCC=CC(=O)O)C(C2=C(C=CC(=C2)Br)O)O

Isomeric SMILES

C1=CC=C(C=C1)O[C@@H](CC/C=C/C(=O)O)[C@H](C2=C(C=CC(=C2)Br)O)O

InChI

InChI=1S/C19H19BrO5/c20-13-10-11-16(21)15(12-13)19(24)17(8-4-5-9-18(22)23)25-14-6-2-1-3-7-14/h1-3,5-7,9-12,17,19,21,24H,4,8H2,(H,22,23)/b9-5+/t17-,19-/m0/s1