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

Systemtic Name: 5-[2,4-bis(chloranyl)-5-methyl-phenyl]sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-(2,4-dichloro-5-methyl-phenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-(2,4-dichloro-5-methylphenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-(2,4-dichloro-5-methylphenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-(2,4-dichloro-5-methyl-phenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Formula: C16H12Cl2O6S MolecularWeight: 403.23388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12Cl2O6S/c1-7-4-14(10(18)5-9(7)17)25(21,22)13-6-12-11(3-8(13)2)23-16(24-12)15(19)20/h3-6,16H,1-2H3,(H,19,20)