3,4,5-trimethylbenzenesulfonic acid

Systemtic Name: 3,4,5-trimethylbenzenesulfonic acid Openeye Name: 3,4,5-trimethylbenzenesulfonic acid CAS Name: 3,4,5-trimethylbenzenesulfonic acid IUPAC Name: 3,4,5-trimethylbenzenesulfonic acid Traditional Name: 3,4,5-trimethylbesylic acid Formula: C9H12O3S MolecularWeight: 200.25478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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