sodium (2,5-dimethylphenyl)methylsulfanyl sulfate

Systemtic Name: sodium (2,5-dimethylphenyl)methylsulfanyl sulfate Openeye Name: sodium (2,5-dimethylphenyl)methylsulfanyl sulfate CAS Name: sodium [(2,5-dimethylphenyl)methylthio] sulfate IUPAC Name: sodium (2,5-dimethylphenyl)methylsulfanyl sulfate Traditional Name: sodium [(2,5-dimethylbenzyl)thio] sulfate Formula: C9H11NaO4S2 MolecularWeight: 270.30101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSOS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSOS(=O)(=O)[O-].[Na+]

InChI

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