4-[2-[2-(4-cyclohexylbutylsulfanyl)ethylsulfanyl]ethoxycarbonyl]benzenesulfonate

Systemtic Name: 4-[2-[2-(4-cyclohexylbutylsulfanyl)ethylsulfanyl]ethoxycarbonyl]benzenesulfonate Openeye Name: 4-[2-[2-(4-cyclohexylbutylsulfanyl)ethylsulfanyl]ethoxycarbonyl]benzenesulfonate CAS Name: 4-[2-[2-(4-cyclohexylbutylthio)ethylthio]ethoxy-oxomethyl]benzenesulfonate IUPAC Name: 4-[2-[2-(4-cyclohexylbutylsulfanyl)ethylsulfanyl]ethoxycarbonyl]benzenesulfonate Traditional Name: 4-[2-[2-(4-cyclohexylbutylthio)ethylthio]ethoxycarbonyl]besylate Formula: C21H31O5S3- MolecularWeight: 459.66284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCCSCCSCCOC(=O)C2=CC=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

C1CCC(CC1)CCCCSCCSCCOC(=O)C2=CC=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C21H32O5S3/c22-21(19-9-11-20(12-10-19)29(23,24)25)26-13-15-28-17-16-27-14-5-4-8-18-6-2-1-3-7-18/h9-12,18H,1-8,13-17H2,(H,23,24,25)/p-1