(4-hydroxyphenyl)methylsulfanyl hydrogen sulfate

Systemtic Name: (4-hydroxyphenyl)methylsulfanyl hydrogen sulfate Openeye Name: (4-hydroxyphenyl)methylsulfanyl hydrogen sulfate CAS Name: (4-hydroxyphenyl)methanesulfenic acid sulfo ester IUPAC Name: (4-hydroxyphenyl)methylsulfanyl hydrogen sulfate Traditional Name: sulfuric acid [(4-hydroxybenzyl)thio] ester Formula: C7H8O5S2 MolecularWeight: 236.26542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSOS(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1CSOS(=O)(=O)O)O

InChI

InChI=1S/C7H8O5S2/c8-7-3-1-6(2-4-7)5-13-12-14(9,10)11/h1-4,8H,5H2,(H,9,10,11)