4-methyl-5-(4-methylphenyl)sulfonyl-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 4-methyl-5-(4-methylphenyl)sulfonyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 4-methyl-5-(p-tolylsulfonyl)-1,3-benzodioxole-2-carboxylic acid CAS Name: 4-methyl-5-(4-methylphenyl)sulfonyl-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 4-methyl-5-(4-methylphenyl)sulfonyl-1,3-benzodioxole-2-carboxylic acid Traditional Name: 4-methyl-5-tosyl-1,3-benzodioxole-2-carboxylic acid Formula: C16H14O6S MolecularWeight: 334.34376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=C(C=C2)OC(O3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=C(C=C2)OC(O3)C(=O)O)C

InChI

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