(4-methylphenyl)sulfonyl 4-methylbenzenesulfonate hydrate

Systemtic Name: (4-methylphenyl)sulfonyl 4-methylbenzenesulfonate hydrate Openeye Name: p-tolylsulfonyl 4-methylbenzenesulfonate hydrate CAS Name: 4-methylbenzenesulfonic acid (4-methylphenyl)sulfonyl ester hydrate IUPAC Name: (4-methylphenyl)sulfonyl 4-methylbenzenesulfonate hydrate Traditional Name: 4-methylbenzenesulfonic acid tosyl ester hydrate Formula: C14H16O6S2 MolecularWeight: 344.40324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=C(C=C2)C.O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=C(C=C2)C.O

InChI

InChI=1S/C14H14O5S2.H2O/c1-11-3-7-13(8-4-11)20(15,16)19-21(17,18)14-9-5-12(2)6-10-14;/h3-10H,1-2H3;1H2