pentane sulfate

Systemtic Name: pentane sulfate Openeye Name: pentane sulfate CAS Name: pentane sulfate IUPAC Name: pentane sulfate Traditional Name: n-pentane sulfate Formula: C5H12O4S-2 MolecularWeight: 168.21138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C5H12.H2O4S/c1-3-5-4-2;1-5(2,3)4/h3-5H2,1-2H3;(H2,1,2,3,4)/p-2