azanium methyl 4-sulfanylpentane-2-sulfonate

Systemtic Name: azanium methyl 4-sulfanylpentane-2-sulfonate Openeye Name: ammonium methyl 4-sulfanylpentane-2-sulfonate CAS Name: ammonium 4-mercapto-2-pentanesulfonic acid IUPAC Name: azanium methyl 4-sulfanylpentane-2-sulfonate Traditional Name: ammonium 4-mercaptopentane-2-sulfonic acid methyl ester Formula: C6H18NO3S2+ MolecularWeight: 216.34202

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)S(=O)(=O)OC)S.[NH4+]

Isomeric SMILES

CC(CC(C)S(=O)(=O)OC)S.[NH4+]

InChI

InChI=1S/C6H14O3S2.H3N/c1-5(10)4-6(2)11(7,8)9-3;/h5-6,10H,4H2,1-3H3;1H3/p+1