3-hexylsulfanyl-2-(hexylsulfanylmethyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 3-hexylsulfanyl-2-(hexylsulfanylmethyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 3-hexylsulfanyl-2-(hexylsulfanylmethyl)-4-hydroxy-5-oxo-furan-2-carboxylic acid CAS Name: 3-(hexylthio)-2-[(hexylthio)methyl]-4-hydroxy-5-oxo-2-furancarboxylic acid IUPAC Name: 3-hexylsulfanyl-2-(hexylsulfanylmethyl)-4-hydroxy-5-oxofuran-2-carboxylic acid Traditional Name: 3-(hexylthio)-2-[(hexylthio)methyl]-4-hydroxy-5-keto-2-furoic acid Formula: C18H30O5S2 MolecularWeight: 390.5578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCC1(C(=C(C(=O)O1)O)SCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCSCC1(C(=C(C(=O)O1)O)SCCCCCC)C(=O)O

InChI

InChI=1S/C18H30O5S2/c1-3-5-7-9-11-24-13-18(17(21)22)15(14(19)16(20)23-18)25-12-10-8-6-4-2/h19H,3-13H2,1-2H3,(H,21,22)