4-[3,3-bis(sulfanyl)propoxy]benzenesulfonate

Systemtic Name: 4-[3,3-bis(sulfanyl)propoxy]benzenesulfonate Openeye Name: 4-[3,3-bis(sulfanyl)propoxy]benzenesulfonate CAS Name: 4-(3,3-dimercaptopropoxy)benzenesulfonate IUPAC Name: 4-[3,3-bis(sulfanyl)propoxy]benzenesulfonate Traditional Name: 4-(3,3-dimercaptopropoxy)besylate Formula: C9H11O4S3- MolecularWeight: 279.37624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCC(S)S)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1OCCC(S)S)S(=O)(=O)[O-]

InChI

InChI=1S/C9H12O4S3/c10-16(11,12)8-3-1-7(2-4-8)13-6-5-9(14)15/h1-4,9,14-15H,5-6H2,(H,10,11,12)/p-1