(3,9-diethyl-1-oxidanyl-tridecan-6-yl) hydrogen sulfate

Systemtic Name: (3,9-diethyl-1-oxidanyl-tridecan-6-yl) hydrogen sulfate Openeye Name: [4-ethyl-1-(3-ethyl-5-hydroxy-pentyl)octyl] hydrogen sulfate CAS Name: sulfuric acid (3,9-diethyl-1-hydroxytridecan-6-yl) ester IUPAC Name: (3,9-diethyl-1-hydroxytridecan-6-yl) hydrogen sulfate Traditional Name: sulfuric acid [4-ethyl-1-(3-ethyl-5-hydroxy-pentyl)octyl] ester Formula: C17H36O5S MolecularWeight: 352.52974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CCC(CCC(CC)CCO)OS(=O)(=O)O

Isomeric SMILES

CCCCC(CC)CCC(CCC(CC)CCO)OS(=O)(=O)O

InChI

InChI=1S/C17H36O5S/c1-4-7-8-15(5-2)9-11-17(22-23(19,20)21)12-10-16(6-3)13-14-18/h15-18H,4-14H2,1-3H3,(H,19,20,21)