4-[2-(3-chloranylphenoxy)ethylsulfanyl]benzoic acid

Systemtic Name: 4-[2-(3-chloranylphenoxy)ethylsulfanyl]benzoic acid Openeye Name: 4-[2-(3-chlorophenoxy)ethylsulfanyl]benzoic acid CAS Name: 4-[2-(3-chlorophenoxy)ethylthio]benzoic acid IUPAC Name: 4-[2-(3-chlorophenoxy)ethylsulfanyl]benzoic acid Traditional Name: 4-[2-(3-chlorophenoxy)ethylthio]benzoic acid Formula: C15H13ClO3S MolecularWeight: 308.77992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)OCCSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)OCCSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H13ClO3S/c16-12-2-1-3-13(10-12)19-8-9-20-14-6-4-11(5-7-14)15(17)18/h1-7,10H,8-9H2,(H,17,18)