methylbenzene; methyl hydrogen sulfate

Systemtic Name: methylbenzene; methyl hydrogen sulfate Openeye Name: methyl hydrogen sulfate; toluene CAS Name: sulfuric acid methyl ester; toluene IUPAC Name: methyl hydrogen sulfate; toluene Traditional Name: sulfuric acid methyl ester; toluene Formula: C8H12O4S MolecularWeight: 204.24348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.COS(=O)(=O)O

Isomeric SMILES

CC1=CC=CC=C1.COS(=O)(=O)O

InChI

InChI=1S/C7H8.CH4O4S/c1-7-5-3-2-4-6-7;1-5-6(2,3)4/h2-6H,1H3;1H3,(H,2,3,4)