3-[(4-methoxyphenyl)methylsulfanyl]-2-[(4-methoxyphenyl)methylsulfanylmethyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 3-[(4-methoxyphenyl)methylsulfanyl]-2-[(4-methoxyphenyl)methylsulfanylmethyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 4-hydroxy-3-[(4-methoxyphenyl)methylsulfanyl]-2-[(4-methoxyphenyl)methylsulfanylmethyl]-5-oxo-furan-2-carboxylic acid CAS Name: 4-hydroxy-3-[(4-methoxyphenyl)methylthio]-2-[[(4-methoxyphenyl)methylthio]methyl]-5-oxo-2-furancarboxylic acid IUPAC Name: 4-hydroxy-3-[(4-methoxyphenyl)methylsulfanyl]-2-[(4-methoxyphenyl)methylsulfanylmethyl]-5-oxofuran-2-carboxylic acid Traditional Name: 4-hydroxy-5-keto-3-(p-anisylthio)-2-[(p-anisylthio)methyl]-2-furoic acid Formula: C22H22O7S2 MolecularWeight: 462.53588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSCC2(C(=C(C(=O)O2)O)SCC3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CSCC2(C(=C(C(=O)O2)O)SCC3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C22H22O7S2/c1-27-16-7-3-14(4-8-16)11-30-13-22(21(25)26)19(18(23)20(24)29-22)31-12-15-5-9-17(28-2)10-6-15/h3-10,23H,11-13H2,1-2H3,(H,25,26)