10-[[fluoranyl-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]methyl]amino]-10-oxidanylidene-decanoic acid

Systemtic Name: 10-[[fluoranyl-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]methyl]amino]-10-oxidanylidene-decanoic acid Openeye Name: 10-[[fluoro-[2-(4-hydroxy-4-oxo-butyl)sulfanylphenyl]methyl]amino]-10-oxo-decanoic acid CAS Name: 10-[[fluoro-[2-[(4-hydroxy-4-oxobutyl)thio]phenyl]methyl]amino]-10-oxodecanoic acid IUPAC Name: 10-[[fluoro-[2-(4-hydroxy-4-oxobutyl)sulfanylphenyl]methyl]amino]-10-oxodecanoic acid Traditional Name: 10-[[fluoro-[2-[(4-hydroxy-4-keto-butyl)thio]phenyl]methyl]amino]-10-keto-capric acid Formula: C21H30FNO5S MolecularWeight: 427.530003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(NC(=O)CCCCCCCCC(=O)O)F)SCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(NC(=O)CCCCCCCCC(=O)O)F)SCCCC(=O)O

InChI

InChI=1S/C21H30FNO5S/c22-21(16-10-7-8-11-17(16)29-15-9-14-20(27)28)23-18(24)12-5-3-1-2-4-6-13-19(25)26/h7-8,10-11,21H,1-6,9,12-15H2,(H,23,24)(H,25,26)(H,27,28)