4-[3-(4-chlorophenyl)sulfanylpropoxy]benzoic acid

Systemtic Name: 4-[3-(4-chlorophenyl)sulfanylpropoxy]benzoic acid Openeye Name: 4-[3-(4-chlorophenyl)sulfanylpropoxy]benzoic acid CAS Name: 4-[3-[(4-chlorophenyl)thio]propoxy]benzoic acid IUPAC Name: 4-[3-(4-chlorophenyl)sulfanylpropoxy]benzoic acid Traditional Name: 4-[3-[(4-chlorophenyl)thio]propoxy]benzoic acid Formula: C16H15ClO3S MolecularWeight: 322.8065

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OCCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OCCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H15ClO3S/c17-13-4-8-15(9-5-13)21-11-1-10-20-14-6-2-12(3-7-14)16(18)19/h2-9H,1,10-11H2,(H,18,19)