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

Systemtic Name: 5-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-(3-chloro-4-fluoro-phenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-(3-chloro-4-fluorophenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-(3-chloro-4-fluorophenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-(3-chloro-4-fluoro-phenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Formula: C15H10ClFO6S MolecularWeight: 372.752703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10ClFO6S/c1-7-4-11-12(23-15(22-11)14(18)19)6-13(7)24(20,21)8-2-3-10(17)9(16)5-8/h2-6,15H,1H3,(H,18,19)