2-(4-fluorophenyl)sulfanyloxy-2-oxidanylidene-ethanoic acid; 2-(2-hexylphenyl)-N-methyl-ethanamine

Systemtic Name: 2-(4-fluorophenyl)sulfanyloxy-2-oxidanylidene-ethanoic acid; 2-(2-hexylphenyl)-N-methyl-ethanamine Openeye Name: 2-(4-fluorophenyl)sulfanyloxy-2-oxo-acetic acid; 2-(2-hexylphenyl)-N-methyl-ethanamine CAS Name: 2-[(4-fluorophenyl)thio]oxy-2-oxoacetic acid; 2-(2-hexylphenyl)-N-methylethanamine IUPAC Name: 2-(4-fluorophenyl)sulfanyloxy-2-oxoacetic acid; 2-(2-hexylphenyl)-N-methylethanamine Traditional Name: 2-[(4-fluorophenyl)thio]oxy-2-keto-acetic acid; 2-(2-hexylphenyl)ethyl-methyl-amine Formula: C23H30FNO4S MolecularWeight: 435.552003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC=C1CCNC.C1=CC(=CC=C1F)SOC(=O)C(=O)O

Isomeric SMILES

CCCCCCC1=CC=CC=C1CCNC.C1=CC(=CC=C1F)SOC(=O)C(=O)O

InChI

InChI=1S/C15H25N.C8H5FO4S/c1-3-4-5-6-9-14-10-7-8-11-15(14)12-13-16-2;9-5-1-3-6(4-2-5)14-13-8(12)7(10)11/h7-8,10-11,16H,3-6,9,12-13H2,1-2H3;1-4H,(H,10,11)