5-(1-adamantyl)-2-fluoranyl-4-oxidanyl-benzoate

Systemtic Name: 5-(1-adamantyl)-2-fluoranyl-4-oxidanyl-benzoate Openeye Name: 5-(1-adamantyl)-2-fluoro-4-hydroxy-benzoate CAS Name: 5-(1-adamantyl)-2-fluoro-4-hydroxybenzoate IUPAC Name: 5-(1-adamantyl)-2-fluoro-4-hydroxybenzoate Traditional Name: 5-(1-adamantyl)-2-fluoro-4-hydroxy-benzoate Formula: C17H18FO3- MolecularWeight: 289.321423

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C(=C4)C(=O)[O-])F)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C(=C4)C(=O)[O-])F)O

InChI

InChI=1S/C17H19FO3/c18-14-5-15(19)13(4-12(14)16(20)21)17-6-9-1-10(7-17)3-11(2-9)8-17/h4-5,9-11,19H,1-3,6-8H2,(H,20,21)/p-1