2,4,5-trimethylbenzenesulfonate

Systemtic Name: 2,4,5-trimethylbenzenesulfonate Openeye Name: 2,4,5-trimethylbenzenesulfonate CAS Name: 2,4,5-trimethylbenzenesulfonate IUPAC Name: 2,4,5-trimethylbenzenesulfonate Traditional Name: 2,4,5-trimethylbesylate Formula: C9H11O3S- MolecularWeight: 199.24684

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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)/p-1