(4-ethylphenyl)methylsulfanyl hydrogen sulfate

Systemtic Name: (4-ethylphenyl)methylsulfanyl hydrogen sulfate Openeye Name: (4-ethylphenyl)methylsulfanyl hydrogen sulfate CAS Name: (4-ethylphenyl)methanesulfenic acid sulfo ester IUPAC Name: (4-ethylphenyl)methylsulfanyl hydrogen sulfate Traditional Name: sulfuric acid [(4-ethylbenzyl)thio] ester Formula: C9H12O4S2 MolecularWeight: 248.31918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CSOS(=O)(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CSOS(=O)(=O)O

InChI

InChI=1S/C9H12O4S2/c1-2-8-3-5-9(6-4-8)7-14-13-15(10,11)12/h3-6H,2,7H2,1H3,(H,10,11,12)