ethyl hydrogen sulfate; 4-methylbenzenesulfonic acid

Systemtic Name: ethyl hydrogen sulfate; 4-methylbenzenesulfonic acid Openeye Name: ethyl hydrogen sulfate; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; sulfuric acid ethyl ester IUPAC Name: ethyl hydrogen sulfate; 4-methylbenzenesulfonic acid Traditional Name: sulfuric acid ethyl ester; tosylic acid Formula: C9H14O7S2 MolecularWeight: 298.33326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C2H6O4S/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-6-7(3,4)5/h2-5H,1H3,(H,8,9,10);2H2,1H3,(H,3,4,5)