(3-methylphenyl)methylsulfanyl sulfate

Systemtic Name: (3-methylphenyl)methylsulfanyl sulfate Openeye Name: m-tolylmethylsulfanyl sulfate CAS Name: [(3-methylphenyl)methylthio] sulfate IUPAC Name: (3-methylphenyl)methylsulfanyl sulfate Traditional Name: [(3-methylbenzyl)thio] sulfate Formula: C8H9O4S2- MolecularWeight: 233.28466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSOS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CSOS(=O)(=O)[O-]

InChI

InChI=1S/C8H10O4S2/c1-7-3-2-4-8(5-7)6-13-12-14(9,10)11/h2-5H,6H2,1H3,(H,9,10,11)/p-1