2-[2-(4-cyanophenoxy)ethylsulfanyl]benzoic acid

Systemtic Name: 2-[2-(4-cyanophenoxy)ethylsulfanyl]benzoic acid Openeye Name: 2-[2-(4-cyanophenoxy)ethylsulfanyl]benzoic acid CAS Name: 2-[2-(4-cyanophenoxy)ethylthio]benzoic acid IUPAC Name: 2-[2-(4-cyanophenoxy)ethylsulfanyl]benzoic acid Traditional Name: 2-[2-(4-cyanophenoxy)ethylthio]benzoic acid Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO3S/c17-11-12-5-7-13(8-6-12)20-9-10-21-15-4-2-1-3-14(15)16(18)19/h1-8H,9-10H2,(H,18,19)