3-(2-methylpropylsulfonyl)-2-(2-methylpropylsulfonylmethyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 3-(2-methylpropylsulfonyl)-2-(2-methylpropylsulfonylmethyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 4-hydroxy-3-isobutylsulfonyl-2-(isobutylsulfonylmethyl)-5-oxo-furan-2-carboxylic acid CAS Name: 4-hydroxy-3-(2-methylpropylsulfonyl)-2-(2-methylpropylsulfonylmethyl)-5-oxo-2-furancarboxylic acid IUPAC Name: 4-hydroxy-3-(2-methylpropylsulfonyl)-2-(2-methylpropylsulfonylmethyl)-5-oxofuran-2-carboxylic acid Traditional Name: 4-hydroxy-3-isobutylsulfonyl-2-(isobutylsulfonylmethyl)-5-keto-2-furoic acid Formula: C14H22O9S2 MolecularWeight: 398.44908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)CC1(C(=C(C(=O)O1)O)S(=O)(=O)CC(C)C)C(=O)O

Isomeric SMILES

CC(C)CS(=O)(=O)CC1(C(=C(C(=O)O1)O)S(=O)(=O)CC(C)C)C(=O)O

InChI

InChI=1S/C14H22O9S2/c1-8(2)5-24(19,20)7-14(13(17)18)11(10(15)12(16)23-14)25(21,22)6-9(3)4/h8-9,15H,5-7H2,1-4H3,(H,17,18)