disodium (E)-6-heptylsulfanylhex-5-en-1-ol sulfate

Systemtic Name: disodium (E)-6-heptylsulfanylhex-5-en-1-ol sulfate Openeye Name: disodium (E)-6-heptylsulfanylhex-5-en-1-ol sulfate CAS Name: disodium (E)-6-(heptylthio)-5-hexen-1-ol sulfate IUPAC Name: disodium (E)-6-heptylsulfanylhex-5-en-1-ol sulfate Traditional Name: disodium (E)-6-(heptylthio)hex-5-en-1-ol sulfate Formula: C13H26Na2O5S2 MolecularWeight: 372.45208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC=CCCCCO.[O-]S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCS/C=C/CCCCO.[O-]S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C13H26OS.2Na.H2O4S/c1-2-3-4-6-9-12-15-13-10-7-5-8-11-14;;;1-5(2,3)4/h10,13-14H,2-9,11-12H2,1H3;;;(H2,1,2,3,4)/q;2*+1;/p-2/b13-10+;;;