4-methylbenzenesulfonic acid; sulfuric acid

Systemtic Name: 4-methylbenzenesulfonic acid; sulfuric acid Openeye Name: 4-methylbenzenesulfonic acid; sulfuric acid CAS Name: 4-methylbenzenesulfonic acid; sulfuric acid IUPAC Name: 4-methylbenzenesulfonic acid; sulfuric acid Traditional Name: sulfuric acid; tosylic acid Formula: C7H12O11S3 MolecularWeight: 368.35858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.2H2O4S/c1-6-2-4-7(5-3-6)11(8,9)10;2*1-5(2,3)4/h2-5H,1H3,(H,8,9,10);2*(H2,1,2,3,4)