2,2-dimethyl-6-(4-oxidanylsulfanylphenoxy)hexanoic acid

Systemtic Name: 2,2-dimethyl-6-(4-oxidanylsulfanylphenoxy)hexanoic acid Openeye Name: 6-(4-hydroxysulfanylphenoxy)-2,2-dimethyl-hexanoic acid CAS Name: 6-[4-(hydroxythio)phenoxy]-2,2-dimethylhexanoic acid IUPAC Name: 6-(4-hydroxysulfanylphenoxy)-2,2-dimethylhexanoic acid Traditional Name: 2,2-dimethyl-6-(4-sulfenophenoxy)hexanoic acid Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCOC1=CC=C(C=C1)SO)C(=O)O

Isomeric SMILES

CC(C)(CCCCOC1=CC=C(C=C1)SO)C(=O)O

InChI

InChI=1S/C14H20O4S/c1-14(2,13(15)16)9-3-4-10-18-11-5-7-12(19-17)8-6-11/h5-8,17H,3-4,9-10H2,1-2H3,(H,15,16)