4-[2-[2-(4-carboxyphenyl)-2-oxidanylidene-ethyl]sulfanyloxysulfanylethanoyl]benzoic acid

Systemtic Name: 4-[2-[2-(4-carboxyphenyl)-2-oxidanylidene-ethyl]sulfanyloxysulfanylethanoyl]benzoic acid Openeye Name: 4-[2-[2-(4-carboxyphenyl)-2-oxo-ethyl]sulfanyloxysulfanylacetyl]benzoic acid CAS Name: 4-[2-[[[2-(4-carboxyphenyl)-2-oxoethyl]thio]oxythio]-1-oxoethyl]benzoic acid IUPAC Name: 4-[2-[2-(4-carboxyphenyl)-2-oxoethyl]sulfanyloxysulfanylacetyl]benzoic acid Traditional Name: 4-[2-[[[2-(4-carboxyphenyl)-2-keto-ethyl]thio]oxythio]acetyl]benzoic acid Formula: C18H14O7S2 MolecularWeight: 406.42956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSOSCC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSOSCC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H14O7S2/c19-15(11-1-5-13(6-2-11)17(21)22)9-26-25-27-10-16(20)12-3-7-14(8-4-12)18(23)24/h1-8H,9-10H2,(H,21,22)(H,23,24)