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

Systemtic Name: 2-[2-(4-propan-2-ylphenyl)sulfanylethoxy]benzoic acid Openeye Name: 2-[2-(4-isopropylphenyl)sulfanylethoxy]benzoic acid CAS Name: 2-[2-[(4-propan-2-ylphenyl)thio]ethoxy]benzoic acid IUPAC Name: 2-[2-(4-propan-2-ylphenyl)sulfanylethoxy]benzoic acid Traditional Name: 2-[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=C2C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SCCOC2=CC=CC=C2C(=O)O

InChI

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