3-[2-(4-tert-butylphenyl)sulfanylethoxy]benzoic acid

Systemtic Name: 3-[2-(4-tert-butylphenyl)sulfanylethoxy]benzoic acid Openeye Name: 3-[2-(4-tert-butylphenyl)sulfanylethoxy]benzoic acid CAS Name: 3-[2-[(4-tert-butylphenyl)thio]ethoxy]benzoic acid IUPAC Name: 3-[2-(4-tert-butylphenyl)sulfanylethoxy]benzoic acid Traditional Name: 3-[2-[(4-tert-butylphenyl)thio]ethoxy]benzoic acid Formula: C19H22O3S MolecularWeight: 330.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCCOC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCCOC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C19H22O3S/c1-19(2,3)15-7-9-17(10-8-15)23-12-11-22-16-6-4-5-14(13-16)18(20)21/h4-10,13H,11-12H2,1-3H3,(H,20,21)