4-cyanobutylsulfanyl hydrogen sulfate

Systemtic Name: 4-cyanobutylsulfanyl hydrogen sulfate Openeye Name: 4-cyanobutylsulfanyl hydrogen sulfate CAS Name: 4-cyano-1-butanesulfenic acid IUPAC Name: 4-cyanobutylsulfanyl hydrogen sulfate Traditional Name: sulfuric acid (4-cyanobutylthio) ester Formula: C5H9NO4S2 MolecularWeight: 211.25926

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Descriptors Computed from Structure

Canonical SMILES:

C(CCSOS(=O)(=O)O)CC#N

Isomeric SMILES

C(CCSOS(=O)(=O)O)CC#N

InChI

InChI=1S/C5H9NO4S2/c6-4-2-1-3-5-11-10-12(7,8)9/h1-3,5H2,(H,7,8,9)