4-(3-phenylsulfanylpropoxy)benzoic acid

Systemtic Name: 4-(3-phenylsulfanylpropoxy)benzoic acid Openeye Name: 4-(3-phenylsulfanylpropoxy)benzoic acid CAS Name: 4-[3-(phenylthio)propoxy]benzoic acid IUPAC Name: 4-(3-phenylsulfanylpropoxy)benzoic acid Traditional Name: 4-[3-(phenylthio)propoxy]benzoic acid Formula: C16H16O3S MolecularWeight: 288.36144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O3S/c17-16(18)13-7-9-14(10-8-13)19-11-4-12-20-15-5-2-1-3-6-15/h1-3,5-10H,4,11-12H2,(H,17,18)