sodium 3-(4-butan-2-ylphenoxy)propane-1-sulfonate

Systemtic Name: sodium 3-(4-butan-2-ylphenoxy)propane-1-sulfonate Openeye Name: sodium 3-(4-sec-butylphenoxy)propane-1-sulfonate CAS Name: sodium 3-(4-butan-2-ylphenoxy)-1-propanesulfonate IUPAC Name: sodium 3-(4-butan-2-ylphenoxy)propane-1-sulfonate Traditional Name: sodium 3-(4-sec-butylphenoxy)propane-1-sulfonate Formula: C13H19NaO4S MolecularWeight: 294.34233

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H20O4S.Na/c1-3-11(2)12-5-7-13(8-6-12)17-9-4-10-18(14,15)16;/h5-8,11H,3-4,9-10H2,1-2H3,(H,14,15,16);/q;+1/p-1