2-(2-fluoranylheptyl)-4-methyl-benzenesulfonic acid

Systemtic Name: 2-(2-fluoranylheptyl)-4-methyl-benzenesulfonic acid Openeye Name: 2-(2-fluoroheptyl)-4-methyl-benzenesulfonic acid CAS Name: 2-(2-fluoroheptyl)-4-methylbenzenesulfonic acid IUPAC Name: 2-(2-fluoroheptyl)-4-methylbenzenesulfonic acid Traditional Name: 2-(2-fluoroheptyl)-4-methyl-besylic acid Formula: C14H21FO3S MolecularWeight: 288.378143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC1=C(C=CC(=C1)C)S(=O)(=O)O)F

Isomeric SMILES

CCCCCC(CC1=C(C=CC(=C1)C)S(=O)(=O)O)F

InChI

InChI=1S/C14H21FO3S/c1-3-4-5-6-13(15)10-12-9-11(2)7-8-14(12)19(16,17)18/h7-9,13H,3-6,10H2,1-2H3,(H,16,17,18)