5-methyl-6-(3-methylphenyl)sulfonyl-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 5-methyl-6-(3-methylphenyl)sulfonyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-methyl-6-(m-tolylsulfonyl)-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-methyl-6-(3-methylphenyl)sulfonyl-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-methyl-6-(3-methylphenyl)sulfonyl-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-methyl-6-(m-tolylsulfonyl)-1,3-benzodioxole-2-carboxylic acid Formula: C16H14O6S MolecularWeight: 334.34376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)C2=CC3=C(C=C2C)OC(O3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)C2=CC3=C(C=C2C)OC(O3)C(=O)O

InChI

InChI=1S/C16H14O6S/c1-9-4-3-5-11(6-9)23(19,20)14-8-13-12(7-10(14)2)21-16(22-13)15(17)18/h3-8,16H,1-2H3,(H,17,18)