4-ethoxy-2,3-bis(fluoranyl)phenolate; 4-pentylcyclohexane-1-carboxylic acid

Systemtic Name: 4-ethoxy-2,3-bis(fluoranyl)phenolate; 4-pentylcyclohexane-1-carboxylic acid Openeye Name: 4-ethoxy-2,3-difluoro-phenolate; 4-pentylcyclohexanecarboxylic acid CAS Name: 4-ethoxy-2,3-difluorophenolate; 4-pentyl-1-cyclohexanecarboxylic acid IUPAC Name: 4-ethoxy-2,3-difluorophenolate; 4-pentylcyclohexane-1-carboxylic acid Traditional Name: 4-amylcyclohexanecarboxylic acid; 4-ethoxy-2,3-difluoro-phenolate Formula: C20H29F2O4- MolecularWeight: 371.438666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(=O)O.CCOC1=C(C(=C(C=C1)[O-])F)F

Isomeric SMILES

CCCCCC1CCC(CC1)C(=O)O.CCOC1=C(C(=C(C=C1)[O-])F)F

InChI

InChI=1S/C12H22O2.C8H8F2O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14;1-2-12-6-4-3-5(11)7(9)8(6)10/h10-11H,2-9H2,1H3,(H,13,14);3-4,11H,2H2,1H3/p-1