2,4,5-trimethylbenzenesulfonic acid

Systemtic Name: 2,4,5-trimethylbenzenesulfonic acid Openeye Name: 2,4,5-trimethylbenzenesulfonic acid CAS Name: 2,4,5-trimethylbenzenesulfonic acid IUPAC Name: 2,4,5-trimethylbenzenesulfonic acid Traditional Name: 2,4,5-trimethylbesylic acid Formula: C9H12O3S MolecularWeight: 200.25478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)O)C

InChI

InChI=1S/C9H12O3S/c1-6-4-8(3)9(5-7(6)2)13(10,11)12/h4-5H,1-3H3,(H,10,11,12)