5-(hydroxymethyl)heptylsulfanyl hydrogen sulfate

Systemtic Name: 5-(hydroxymethyl)heptylsulfanyl hydrogen sulfate Openeye Name: 5-(hydroxymethyl)heptylsulfanyl hydrogen sulfate CAS Name: 5-(hydroxymethyl)-1-heptanesulfenic acid IUPAC Name: 5-(hydroxymethyl)heptylsulfanyl hydrogen sulfate Traditional Name: sulfuric acid (5-methylolheptylthio) ester Formula: C8H18O5S2 MolecularWeight: 258.35552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCSOS(=O)(=O)O)CO

Isomeric SMILES

CCC(CCCCSOS(=O)(=O)O)CO

InChI

InChI=1S/C8H18O5S2/c1-2-8(7-9)5-3-4-6-14-13-15(10,11)12/h8-9H,2-7H2,1H3,(H,10,11,12)