5-(sulfanylmethyl)heptane-1-sulfonic acid

Systemtic Name: 5-(sulfanylmethyl)heptane-1-sulfonic acid Openeye Name: 5-(sulfanylmethyl)heptane-1-sulfonic acid CAS Name: 5-(mercaptomethyl)-1-heptanesulfonic acid IUPAC Name: 5-(sulfanylmethyl)heptane-1-sulfonic acid Traditional Name: 5-(mercaptomethyl)heptane-1-sulfonic acid Formula: C8H18O3S2 MolecularWeight: 226.35672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCS(=O)(=O)O)CS

Isomeric SMILES

CCC(CCCCS(=O)(=O)O)CS

InChI

InChI=1S/C8H18O3S2/c1-2-8(7-12)5-3-4-6-13(9,10)11/h8,12H,2-7H2,1H3,(H,9,10,11)