sodium 2,5-dimethylbenzenesulfonate hydrate

Systemtic Name: sodium 2,5-dimethylbenzenesulfonate hydrate Openeye Name: sodium 2,5-dimethylbenzenesulfonate hydrate CAS Name: sodium 2,5-dimethylbenzenesulfonate hydrate IUPAC Name: sodium 2,5-dimethylbenzenesulfonate hydrate Traditional Name: sodium 2,5-dimethylbesylate hydrate Formula: C8H11NaO4S MolecularWeight: 226.22531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)[O-].O.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)[O-].O.[Na+]

InChI

InChI=1S/C8H10O3S.Na.H2O/c1-6-3-4-7(2)8(5-6)12(9,10)11;;/h3-5H,1-2H3,(H,9,10,11);;1H2/q;+1;/p-1