(E)-2-methyl-3-(phenylsulfonyl)but-2-enedioic acid

Systemtic Name: (E)-2-methyl-3-(phenylsulfonyl)but-2-enedioic acid Openeye Name: (E)-2-(benzenesulfonyl)-3-methyl-but-2-enedioic acid CAS Name: (E)-2-(benzenesulfonyl)-3-methyl-2-butenedioic acid IUPAC Name: (E)-2-(benzenesulfonyl)-3-methylbut-2-enedioic acid Traditional Name: (E)-2-besyl-3-methyl-but-2-enedioic acid Formula: C11H10O6S MolecularWeight: 270.2585

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)O)S(=O)(=O)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

C/C(=C(/C(=O)O)\S(=O)(=O)C1=CC=CC=C1)/C(=O)O

InChI

InChI=1S/C11H10O6S/c1-7(10(12)13)9(11(14)15)18(16,17)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)/b9-7+