sodium (2,3-dibutylphenyl) sulfate

Systemtic Name: sodium (2,3-dibutylphenyl) sulfate Openeye Name: sodium (2,3-dibutylphenyl) sulfate CAS Name: sodium (2,3-dibutylphenyl) sulfate IUPAC Name: sodium (2,3-dibutylphenyl) sulfate Traditional Name: sodium (2,3-dibutylphenyl) sulfate Formula: C14H21NaO4S MolecularWeight: 308.36891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O4S.Na/c1-3-5-8-12-9-7-11-14(18-19(15,16)17)13(12)10-6-4-2;/h7,9,11H,3-6,8,10H2,1-2H3,(H,15,16,17);/q;+1/p-1