(2-methyl-6-oxidanyl-heptan-3-yl) hydrogen sulfate

Systemtic Name: (2-methyl-6-oxidanyl-heptan-3-yl) hydrogen sulfate Openeye Name: (4-hydroxy-1-isopropyl-pentyl) hydrogen sulfate CAS Name: sulfuric acid (6-hydroxy-2-methylheptan-3-yl) ester IUPAC Name: (6-hydroxy-2-methylheptan-3-yl) hydrogen sulfate Traditional Name: sulfuric acid (4-hydroxy-1-isopropyl-pentyl) ester Formula: C8H18O5S MolecularWeight: 226.29052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(C)O)OS(=O)(=O)O

Isomeric SMILES

CC(C)C(CCC(C)O)OS(=O)(=O)O

InChI

InChI=1S/C8H18O5S/c1-6(2)8(5-4-7(3)9)13-14(10,11)12/h6-9H,4-5H2,1-3H3,(H,10,11,12)