2-(4-fluoranyldecan-2-ylsulfanyl)octanoic acid

Systemtic Name: 2-(4-fluoranyldecan-2-ylsulfanyl)octanoic acid Openeye Name: 2-(3-fluoro-1-methyl-nonyl)sulfanyloctanoic acid CAS Name: 2-(4-fluorodecan-2-ylthio)octanoic acid IUPAC Name: 2-(4-fluorodecan-2-ylsulfanyl)octanoic acid Traditional Name: 2-[(3-fluoro-1-methyl-nonyl)thio]caprylic acid Formula: C18H35FO2S MolecularWeight: 334.532703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(C)SC(CCCCCC)C(=O)O)F

Isomeric SMILES

CCCCCCC(CC(C)SC(CCCCCC)C(=O)O)F

InChI

InChI=1S/C18H35FO2S/c1-4-6-8-10-12-16(19)14-15(3)22-17(18(20)21)13-11-9-7-5-2/h15-17H,4-14H2,1-3H3,(H,20,21)