3-[2-(4-propan-2-ylphenyl)sulfanylethoxy]benzoic acid

Systemtic Name: 3-[2-(4-propan-2-ylphenyl)sulfanylethoxy]benzoic acid Openeye Name: 3-[2-(4-isopropylphenyl)sulfanylethoxy]benzoic acid CAS Name: 3-[2-[(4-propan-2-ylphenyl)thio]ethoxy]benzoic acid IUPAC Name: 3-[2-(4-propan-2-ylphenyl)sulfanylethoxy]benzoic acid Traditional Name: 3-[2-(p-cumenylthio)ethoxy]benzoic acid Formula: C18H20O3S MolecularWeight: 316.4146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O3S/c1-13(2)14-6-8-17(9-7-14)22-11-10-21-16-5-3-4-15(12-16)18(19)20/h3-9,12-13H,10-11H2,1-2H3,(H,19,20)