2-[6-(2-carboxyphenyl)-5,6-disulfinyl-hexyl]benzoic acid

Systemtic Name: 2-[6-(2-carboxyphenyl)-5,6-disulfinyl-hexyl]benzoic acid Openeye Name: 2-[6-(2-carboxyphenyl)-5,6-disulfinyl-hexyl]benzoic acid CAS Name: 2-[6-(2-carboxyphenyl)-5,6-disulfinylhexyl]benzoic acid IUPAC Name: 2-[6-(2-carboxyphenyl)-5,6-disulfinylhexyl]benzoic acid Traditional Name: 2-[6-(2-carboxyphenyl)-5,6-disulfinyl-hexyl]benzoic acid Formula: C20H18O6S2 MolecularWeight: 418.48332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCCCC(=S=O)C(=S=O)C2=CC=CC=C2C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CCCCC(=S=O)C(=S=O)C2=CC=CC=C2C(=O)O)C(=O)O

InChI

InChI=1S/C20H18O6S2/c21-19(22)14-9-3-1-7-13(14)8-2-6-12-17(27-25)18(28-26)15-10-4-5-11-16(15)20(23)24/h1,3-5,7,9-11H,2,6,8,12H2,(H,21,22)(H,23,24)