sodium 3-(4-tert-butylphenoxy)propane-1-sulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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