5-chloranyl-6-(4-methylphenyl)sulfonyl-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 5-chloranyl-6-(4-methylphenyl)sulfonyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-chloro-6-(p-tolylsulfonyl)-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-chloro-6-(4-methylphenyl)sulfonyl-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-chloro-6-(4-methylphenyl)sulfonyl-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-chloro-6-tosyl-1,3-benzodioxole-2-carboxylic acid Formula: C15H11ClO6S MolecularWeight: 354.76224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C3C(=C2)OC(O3)C(=O)O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C3C(=C2)OC(O3)C(=O)O)Cl

InChI

InChI=1S/C15H11ClO6S/c1-8-2-4-9(5-3-8)23(19,20)13-7-12-11(6-10(13)16)21-15(22-12)14(17)18/h2-7,15H,1H3,(H,17,18)