3-butylsulfanyl-2-(butylsulfanylmethyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 3-butylsulfanyl-2-(butylsulfanylmethyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 3-butylsulfanyl-2-(butylsulfanylmethyl)-4-hydroxy-5-oxo-furan-2-carboxylic acid CAS Name: 3-(butylthio)-2-[(butylthio)methyl]-4-hydroxy-5-oxo-2-furancarboxylic acid IUPAC Name: 3-butylsulfanyl-2-(butylsulfanylmethyl)-4-hydroxy-5-oxofuran-2-carboxylic acid Traditional Name: 3-(butylthio)-2-[(butylthio)methyl]-4-hydroxy-5-keto-2-furoic acid Formula: C14H22O5S2 MolecularWeight: 334.45148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1(C(=C(C(=O)O1)O)SCCCC)C(=O)O

Isomeric SMILES

CCCCSCC1(C(=C(C(=O)O1)O)SCCCC)C(=O)O

InChI

InChI=1S/C14H22O5S2/c1-3-5-7-20-9-14(13(17)18)11(21-8-6-4-2)10(15)12(16)19-14/h15H,3-9H2,1-2H3,(H,17,18)