4-methylbenzenesulfonate; 7-methylbicyclo[4.2.0]octa-1,3,5,7-tetraene

Systemtic Name: 4-methylbenzenesulfonate; 7-methylbicyclo[4.2.0]octa-1,3,5,7-tetraene Openeye Name: 4-methylbenzenesulfonate; 7-methylbicyclo[4.2.0]octa-1,3,5,7-tetraene CAS Name: 4-methylbenzenesulfonate; 7-methylbicyclo[4.2.0]octa-1,3,5,7-tetraene IUPAC Name: 4-methylbenzenesulfonate; 7-methylbicyclo[4.2.0]octa-1,3,5,7-tetraene Traditional Name: 7-methylbicyclo[4.2.0]octa-1,3,5,7-tetraene tosylate Formula: C16H15O3S- MolecularWeight: 287.3535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC2=CC=CC=C12

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC2=CC=CC=C12

InChI

InChI=1S/C9H8.C7H8O3S/c1-7-6-8-4-2-3-5-9(7)8;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H,1H3;2-5H,1H3,(H,8,9,10)/p-1