3-(3-tert-butyl-2-oxidanyl-phenoxy)propane-1-sulfonic acid

Systemtic Name: 3-(3-tert-butyl-2-oxidanyl-phenoxy)propane-1-sulfonic acid Openeye Name: 3-(3-tert-butyl-2-hydroxy-phenoxy)propane-1-sulfonic acid CAS Name: 3-(3-tert-butyl-2-hydroxyphenoxy)-1-propanesulfonic acid IUPAC Name: 3-(3-tert-butyl-2-hydroxyphenoxy)propane-1-sulfonic acid Traditional Name: 3-(3-tert-butyl-2-hydroxy-phenoxy)propane-1-sulfonic acid Formula: C13H20O5S MolecularWeight: 288.3599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O5S/c1-13(2,3)10-6-4-7-11(12(10)14)18-8-5-9-19(15,16)17/h4,6-7,14H,5,8-9H2,1-3H3,(H,15,16,17)