4-[1,2-bis(sulfanyl)ethyl]benzenesulfonate

Systemtic Name: 4-[1,2-bis(sulfanyl)ethyl]benzenesulfonate Openeye Name: 4-[1,2-bis(sulfanyl)ethyl]benzenesulfonate CAS Name: 4-(1,2-dimercaptoethyl)benzenesulfonate IUPAC Name: 4-[1,2-bis(sulfanyl)ethyl]benzenesulfonate Traditional Name: 4-(1,2-dimercaptoethyl)besylate Formula: C8H9O3S3- MolecularWeight: 249.35026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CS)S)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(CS)S)S(=O)(=O)[O-]

InChI

InChI=1S/C8H10O3S3/c9-14(10,11)7-3-1-6(2-4-7)8(13)5-12/h1-4,8,12-13H,5H2,(H,9,10,11)/p-1