sodium 4-methylbenzenesulfonate hydrate

Systemtic Name: sodium 4-methylbenzenesulfonate hydrate Openeye Name: sodium 4-methylbenzenesulfonate hydrate CAS Name: sodium 4-methylbenzenesulfonate hydrate IUPAC Name: sodium 4-methylbenzenesulfonate hydrate Traditional Name: sodium tosylate hydrate Formula: C7H9NaO4S MolecularWeight: 212.19873

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.Na.H2O/c1-6-2-4-7(5-3-6)11(8,9)10;;/h2-5H,1H3,(H,8,9,10);;1H2/q;+1;/p-1