4-(2,4-dimethylphenyl)sulfonylphthalic acid

Systemtic Name: 4-(2,4-dimethylphenyl)sulfonylphthalic acid Openeye Name: 4-(2,4-dimethylphenyl)sulfonylphthalic acid CAS Name: 4-(2,4-dimethylphenyl)sulfonylphthalic acid IUPAC Name: 4-(2,4-dimethylphenyl)sulfonylphthalic acid Traditional Name: 4-(2,4-dimethylphenyl)sulfonylphthalic acid Formula: C16H14O6S MolecularWeight: 334.34376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)C

InChI

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