sodium (2-acetyloxyphenyl)methylsulfanyl sulfate

Systemtic Name: sodium (2-acetyloxyphenyl)methylsulfanyl sulfate Openeye Name: sodium (2-acetoxyphenyl)methylsulfanyl sulfate CAS Name: sodium [(2-acetyloxyphenyl)methylthio] sulfate IUPAC Name: sodium (2-acetyloxyphenyl)methylsulfanyl sulfate Traditional Name: sodium [(2-acetoxybenzyl)thio] sulfate Formula: C9H9NaO6S2 MolecularWeight: 300.28393

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1CSOS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1CSOS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H10O6S2.Na/c1-7(10)14-9-5-3-2-4-8(9)6-16-15-17(11,12)13;/h2-5H,6H2,1H3,(H,11,12,13);/q;+1/p-1