(3-hexylphenyl)methylsulfanyl hydrogen sulfate

Systemtic Name: (3-hexylphenyl)methylsulfanyl hydrogen sulfate Openeye Name: (3-hexylphenyl)methylsulfanyl hydrogen sulfate CAS Name: (3-hexylphenyl)methanesulfenic acid sulfo ester IUPAC Name: (3-hexylphenyl)methylsulfanyl hydrogen sulfate Traditional Name: sulfuric acid [(3-hexylbenzyl)thio] ester Formula: C13H20O4S2 MolecularWeight: 304.4255

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CC=C1)CSOS(=O)(=O)O

Isomeric SMILES

CCCCCCC1=CC(=CC=C1)CSOS(=O)(=O)O

InChI

InChI=1S/C13H20O4S2/c1-2-3-4-5-7-12-8-6-9-13(10-12)11-18-17-19(14,15)16/h6,8-10H,2-5,7,11H2,1H3,(H,14,15,16)