(E,7S)-7-(3-fluoranyl-4-oxidanyl-phenyl)-6,6-dimethyl-7-oxidanyl-hept-2-enoic acid

Systemtic Name: (E,7S)-7-(3-fluoranyl-4-oxidanyl-phenyl)-6,6-dimethyl-7-oxidanyl-hept-2-enoic acid Openeye Name: (E,7S)-7-(3-fluoro-4-hydroxy-phenyl)-7-hydroxy-6,6-dimethyl-hept-2-enoic acid CAS Name: (E,7S)-7-(3-fluoro-4-hydroxyphenyl)-7-hydroxy-6,6-dimethyl-2-heptenoic acid IUPAC Name: (E,7S)-7-(3-fluoro-4-hydroxyphenyl)-7-hydroxy-6,6-dimethylhept-2-enoic acid Traditional Name: (E,7S)-7-(3-fluoro-4-hydroxy-phenyl)-7-hydroxy-6,6-dimethyl-hept-2-enoic acid Formula: C15H19FO4 MolecularWeight: 282.307363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19FO4/c1-15(2,8-4-3-5-13(18)19)14(20)10-6-7-12(17)11(16)9-10/h3,5-7,9,14,17,20H,4,8H2,1-2H3,(H,18,19)/b5-3+/t14-/m1/s1