4-methylbenzenesulfonate; 6-methylcyclobuta[g][1,3]benzodioxole

Systemtic Name: 4-methylbenzenesulfonate; 6-methylcyclobuta[g][1,3]benzodioxole Openeye Name: 4-methylbenzenesulfonate; 6-methylcyclobuta[g][1,3]benzodioxole CAS Name: 4-methylbenzenesulfonate; 6-methylcyclobuta[g][1,3]benzodioxole IUPAC Name: 4-methylbenzenesulfonate; 6-methylcyclobuta[g][1,3]benzodioxole Traditional Name: 6-methylcyclobuta[g][1,3]benzodioxole tosylate Formula: C17H15O5S- MolecularWeight: 331.363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC2=C1C=CC3=C2OCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC2=C1C=CC3=C2OCO3

InChI

InChI=1S/C10H8O2.C7H8O3S/c1-6-4-8-7(6)2-3-9-10(8)12-5-11-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-4H,5H2,1H3;2-5H,1H3,(H,8,9,10)/p-1