3-(4-tert-butylphenoxy)propane-1-sulfonic acid

Systemtic Name: 3-(4-tert-butylphenoxy)propane-1-sulfonic acid Openeye Name: 3-(4-tert-butylphenoxy)propane-1-sulfonic acid CAS Name: 3-(4-tert-butylphenoxy)-1-propanesulfonic acid IUPAC Name: 3-(4-tert-butylphenoxy)propane-1-sulfonic acid Traditional Name: 3-(4-tert-butylphenoxy)propane-1-sulfonic acid Formula: C13H20O4S MolecularWeight: 272.3605

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCS(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCS(=O)(=O)O

InChI

InChI=1S/C13H20O4S/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)