5-methyl-6-thiophen-2-ylsulfonyl-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 5-methyl-6-thiophen-2-ylsulfonyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-methyl-6-(2-thienylsulfonyl)-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-methyl-6-thiophen-2-ylsulfonyl-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-methyl-6-thiophen-2-ylsulfonyl-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-methyl-6-(2-thienylsulfonyl)-1,3-benzodioxole-2-carboxylic acid Formula: C13H10O6S2 MolecularWeight: 326.3449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)C3=CC=CS3)OC(O2)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)C3=CC=CS3)OC(O2)C(=O)O

InChI

InChI=1S/C13H10O6S2/c1-7-5-8-9(19-13(18-8)12(14)15)6-10(7)21(16,17)11-3-2-4-20-11/h2-6,13H,1H3,(H,14,15)