sodium 2,4,5-trimethylbenzenesulfonate

Systemtic Name: sodium 2,4,5-trimethylbenzenesulfonate Openeye Name: sodium 2,4,5-trimethylbenzenesulfonate CAS Name: sodium 2,4,5-trimethylbenzenesulfonate IUPAC Name: sodium 2,4,5-trimethylbenzenesulfonate Traditional Name: sodium 2,4,5-trimethylbesylate Formula: C9H11NaO3S MolecularWeight: 222.23661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)[O-])C.[Na+]

InChI

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