2,3,6-trimethylbenzenesulfonic acid

Systemtic Name: 2,3,6-trimethylbenzenesulfonic acid Openeye Name: 2,3,6-trimethylbenzenesulfonic acid CAS Name: 2,3,6-trimethylbenzenesulfonic acid IUPAC Name: 2,3,6-trimethylbenzenesulfonic acid Traditional Name: 2,3,6-trimethylbesylic acid Formula: C9H12O3S MolecularWeight: 200.25478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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