sodium 2,3,4-tributylphenol sulfate

Systemtic Name: sodium 2,3,4-tributylphenol sulfate Openeye Name: sodium 2,3,4-tributylphenol sulfate CAS Name: sodium 2,3,4-tributylphenol sulfate IUPAC Name: sodium 2,3,4-tributylphenol sulfate Traditional Name: sodium 2,3,4-tributylphenol sulfate Formula: C18H30NaO5S- MolecularWeight: 381.48257

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)O)CCCC)CCCC.[O-]S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)O)CCCC)CCCC.[O-]S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H30O.Na.H2O4S/c1-4-7-10-15-13-14-18(19)17(12-9-6-3)16(15)11-8-5-2;;1-5(2,3)4/h13-14,19H,4-12H2,1-3H3;;(H2,1,2,3,4)/q;+1;/p-2