4-methylbenzenesulfonate hydrate

Systemtic Name: 4-methylbenzenesulfonate hydrate Openeye Name: 4-methylbenzenesulfonate hydrate CAS Name: 4-methylbenzenesulfonate hydrate IUPAC Name: 4-methylbenzenesulfonate hydrate Traditional Name: tosylate hydrate Formula: C7H9O4S- MolecularWeight: 189.20896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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