(3-ethoxyphenyl)methylsulfanyl hydrogen sulfate

Systemtic Name: (3-ethoxyphenyl)methylsulfanyl hydrogen sulfate Openeye Name: (3-ethoxyphenyl)methylsulfanyl hydrogen sulfate CAS Name: (3-ethoxyphenyl)methanesulfenic acid sulfo ester IUPAC Name: (3-ethoxyphenyl)methylsulfanyl hydrogen sulfate Traditional Name: sulfuric acid [(3-ethoxybenzyl)thio] ester Formula: C9H12O5S2 MolecularWeight: 264.31858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CSOS(=O)(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)CSOS(=O)(=O)O

InChI

InChI=1S/C9H12O5S2/c1-2-13-9-5-3-4-8(6-9)7-15-14-16(10,11)12/h3-6H,2,7H2,1H3,(H,10,11,12)