4-methylbenzenesulfonate hexahydrate

Systemtic Name: 4-methylbenzenesulfonate hexahydrate Openeye Name: 4-methylbenzenesulfonate hexahydrate CAS Name: 4-methylbenzenesulfonate hexahydrate IUPAC Name: 4-methylbenzenesulfonate hexahydrate Traditional Name: tosylate hexahydrate Formula: C7H19O9S- MolecularWeight: 279.28536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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