methylbenzene sulfate

Systemtic Name: methylbenzene sulfate Openeye Name: toluene sulfate CAS Name: toluene sulfate IUPAC Name: toluene sulfate Traditional Name: toluene sulfate Formula: C7H8O4S-2 MolecularWeight: 188.20102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8.H2O4S/c1-7-5-3-2-4-6-7;1-5(2,3)4/h2-6H,1H3;(H2,1,2,3,4)/p-2