(2,5-dimethylphenyl)methanesulfonic acid

Systemtic Name: (2,5-dimethylphenyl)methanesulfonic acid Openeye Name: (2,5-dimethylphenyl)methanesulfonic acid CAS Name: (2,5-dimethylphenyl)methanesulfonic acid IUPAC Name: (2,5-dimethylphenyl)methanesulfonic acid Traditional Name: (2,5-dimethylphenyl)methanesulfonic acid Formula: C9H12O3S MolecularWeight: 200.25478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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