[(4S,7R)-2-methyl-7-oxidanyl-octan-4-yl] hydrogen sulfate

Systemtic Name: [(4S,7R)-2-methyl-7-oxidanyl-octan-4-yl] hydrogen sulfate Openeye Name: [(1S,4R)-4-hydroxy-1-isobutyl-pentyl] hydrogen sulfate CAS Name: sulfuric acid [(4S,7R)-7-hydroxy-2-methyloctan-4-yl] ester IUPAC Name: [(4S,7R)-7-hydroxy-2-methyloctan-4-yl] hydrogen sulfate Traditional Name: sulfuric acid [(1S,4R)-4-hydroxy-1-isobutyl-pentyl] ester Formula: C9H20O5S MolecularWeight: 240.3171

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](CC[C@@H](CC(C)C)OS(=O)(=O)O)O

InChI

InChI=1S/C9H20O5S/c1-7(2)6-9(5-4-8(3)10)14-15(11,12)13/h7-10H,4-6H2,1-3H3,(H,11,12,13)/t8-,9+/m1/s1