7-phenoxyheptylsulfanyl hydrogen sulfate

Systemtic Name: 7-phenoxyheptylsulfanyl hydrogen sulfate Openeye Name: 7-phenoxyheptylsulfanyl hydrogen sulfate CAS Name: 7-phenoxy-1-heptanesulfenic acid IUPAC Name: 7-phenoxyheptylsulfanyl hydrogen sulfate Traditional Name: sulfuric acid (7-phenoxyheptylthio) ester Formula: C13H20O5S2 MolecularWeight: 320.4249

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCCCCSOS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCCCCCSOS(=O)(=O)O

InChI

InChI=1S/C13H20O5S2/c14-20(15,16)18-19-12-8-3-1-2-7-11-17-13-9-5-4-6-10-13/h4-6,9-10H,1-3,7-8,11-12H2,(H,14,15,16)