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4-(2-carboxy-5-sulfanyl-pentyl)-2,3,5,6-tetrakis(fluoranyl)benzoic acid

4-(2-carboxy-5-sulfanyl-pentyl)-2,3,5,6-tetrakis(fluoranyl)benzoic acid

Systemtic Name:4-(2-carboxy-5-sulfanyl-pentyl)-2,3,5,6-tetrakis(fluoranyl)benzoic acid
Openeye Name:4-(2-carboxy-5-sulfanyl-pentyl)-2,3,5,6-tetrafluoro-benzoic acid
CAS Name:4-(2-carboxy-5-mercaptopentyl)-2,3,5,6-tetrafluorobenzoic acid
IUPAC Name:4-(2-carboxy-5-sulfanylpentyl)-2,3,5,6-tetrafluorobenzoic acid
Traditional Name:4-(2-carboxy-5-mercapto-pentyl)-2,3,5,6-tetrafluoro-benzoic acid
Formula: C13H12F4O4S
MolecularWeight: 340.290593
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Descriptors Computed from Structure

Canonical SMILES:

C(CC(CC1=C(C(=C(C(=C1F)F)C(=O)O)F)F)C(=O)O)CS


Isomeric SMILES

C(CC(CC1=C(C(=C(C(=C1F)F)C(=O)O)F)F)C(=O)O)CS


InChI

InChI=1S/C13H12F4O4S/c14-8-6(4-5(12(18)19)2-1-3-22)9(15)11(17)7(10(8)16)13(20)21/h5,22H,1-4H2,(H,18,19)(H,20,21)


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