5-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 5-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-(4-chloro-2,5-dimethylphenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-(4-chloro-2,5-dimethylphenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Formula: C17H15ClO6S MolecularWeight: 382.8154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)C3=C(C=C(C(=C3)C)Cl)C)OC(O2)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)C3=C(C=C(C(=C3)C)Cl)C)OC(O2)C(=O)O

InChI

InChI=1S/C17H15ClO6S/c1-8-6-14(9(2)4-11(8)18)25(21,22)15-7-13-12(5-10(15)3)23-17(24-13)16(19)20/h4-7,17H,1-3H3,(H,19,20)