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

Systemtic Name: 2-[3-(4-chloranylphenoxy)propylsulfanyl]benzoic acid Openeye Name: 2-[3-(4-chlorophenoxy)propylsulfanyl]benzoic acid CAS Name: 2-[3-(4-chlorophenoxy)propylthio]benzoic acid IUPAC Name: 2-[3-(4-chlorophenoxy)propylsulfanyl]benzoic acid Traditional Name: 2-[3-(4-chlorophenoxy)propylthio]benzoic acid Formula: C16H15ClO3S MolecularWeight: 322.8065

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCCCOC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCCCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H15ClO3S/c17-12-6-8-13(9-7-12)20-10-3-11-21-15-5-2-1-4-14(15)16(18)19/h1-2,4-9H,3,10-11H2,(H,18,19)