6-methylundecan-1-ol sulfate

Systemtic Name: 6-methylundecan-1-ol sulfate Openeye Name: 6-methylundecan-1-ol sulfate CAS Name: 6-methyl-1-undecanol sulfate IUPAC Name: 6-methylundecan-1-ol sulfate Traditional Name: 6-methylundecan-1-ol sulfate Formula: C12H26O5S-2 MolecularWeight: 282.39684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CCCCCO.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCC(C)CCCCCO.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C12H26O.H2O4S/c1-3-4-6-9-12(2)10-7-5-8-11-13;1-5(2,3)4/h12-13H,3-11H2,1-2H3;(H2,1,2,3,4)/p-2