4-oxidanyl-5-oxidanylidene-3-(phenylmethylsulfanyl)-2-[(phenylmethylsulfanyl)methyl]furan-2-carboxylic acid

Systemtic Name: 4-oxidanyl-5-oxidanylidene-3-(phenylmethylsulfanyl)-2-[(phenylmethylsulfanyl)methyl]furan-2-carboxylic acid Openeye Name: 3-benzylsulfanyl-2-(benzylsulfanylmethyl)-4-hydroxy-5-oxo-furan-2-carboxylic acid CAS Name: 4-hydroxy-5-oxo-3-(phenylmethylthio)-2-[(phenylmethylthio)methyl]-2-furancarboxylic acid IUPAC Name: 3-benzylsulfanyl-2-(benzylsulfanylmethyl)-4-hydroxy-5-oxofuran-2-carboxylic acid Traditional Name: 3-(benzylthio)-2-[(benzylthio)methyl]-4-hydroxy-5-keto-2-furoic acid Formula: C20H18O5S2 MolecularWeight: 402.48392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2(C(=C(C(=O)O2)O)SCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCC2(C(=C(C(=O)O2)O)SCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H18O5S2/c21-16-17(27-12-15-9-5-2-6-10-15)20(19(23)24,25-18(16)22)13-26-11-14-7-3-1-4-8-14/h1-10,21H,11-13H2,(H,23,24)