3-(4-butan-2-ylphenoxy)propane-1-sulfonic acid

Systemtic Name: 3-(4-butan-2-ylphenoxy)propane-1-sulfonic acid Openeye Name: 3-(4-sec-butylphenoxy)propane-1-sulfonic acid CAS Name: 3-(4-butan-2-ylphenoxy)-1-propanesulfonic acid IUPAC Name: 3-(4-butan-2-ylphenoxy)propane-1-sulfonic acid Traditional Name: 3-(4-sec-butylphenoxy)propane-1-sulfonic acid Formula: C13H20O4S MolecularWeight: 272.3605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O4S/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)