(3,5-dimethylphenyl)methanesulfonic acid; 2,4,6-trimethylbenzenesulfonic acid

Systemtic Name: (3,5-dimethylphenyl)methanesulfonic acid; 2,4,6-trimethylbenzenesulfonic acid Openeye Name: (3,5-dimethylphenyl)methanesulfonic acid; 2,4,6-trimethylbenzenesulfonic acid CAS Name: (3,5-dimethylphenyl)methanesulfonic acid; 2,4,6-trimethylbenzenesulfonic acid IUPAC Name: (3,5-dimethylphenyl)methanesulfonic acid; 2,4,6-trimethylbenzenesulfonic acid Traditional Name: (3,5-dimethylphenyl)methanesulfonic acid; 2,4,6-trimethylbesylic acid Formula: C18H24O6S2 MolecularWeight: 400.50956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CS(=O)(=O)O)C.CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)CS(=O)(=O)O)C.CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C

InChI

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