4-chloranylbenzenesulfonic acid; (3,5-dimethylphenyl)methanesulfonic acid

Systemtic Name: 4-chloranylbenzenesulfonic acid; (3,5-dimethylphenyl)methanesulfonic acid Openeye Name: 4-chlorobenzenesulfonic acid; (3,5-dimethylphenyl)methanesulfonic acid CAS Name: 4-chlorobenzenesulfonic acid; (3,5-dimethylphenyl)methanesulfonic acid IUPAC Name: 4-chlorobenzenesulfonic acid; (3,5-dimethylphenyl)methanesulfonic acid Traditional Name: 4-chlorobesylic acid; (3,5-dimethylphenyl)methanesulfonic acid Formula: C15H17ClO6S2 MolecularWeight: 392.87488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CS(=O)(=O)O)C.C1=CC(=CC=C1S(=O)(=O)O)Cl

Isomeric SMILES

CC1=CC(=CC(=C1)CS(=O)(=O)O)C.C1=CC(=CC=C1S(=O)(=O)O)Cl

InChI

InChI=1S/C9H12O3S.C6H5ClO3S/c1-7-3-8(2)5-9(4-7)6-13(10,11)12;7-5-1-3-6(4-2-5)11(8,9)10/h3-5H,6H2,1-2H3,(H,10,11,12);1-4H,(H,8,9,10)