4-phenoxy-3-propylsulfanyl-benzoic acid

Systemtic Name: 4-phenoxy-3-propylsulfanyl-benzoic acid Openeye Name: 4-phenoxy-3-propylsulfanyl-benzoic acid CAS Name: 4-phenoxy-3-(propylthio)benzoic acid IUPAC Name: 4-phenoxy-3-propylsulfanylbenzoic acid Traditional Name: 4-phenoxy-3-(propylthio)benzoic acid Formula: C16H16O3S MolecularWeight: 288.36144

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=C1)C(=O)O)OC2=CC=CC=C2

Isomeric SMILES

CCCSC1=C(C=CC(=C1)C(=O)O)OC2=CC=CC=C2

InChI

InChI=1S/C16H16O3S/c1-2-10-20-15-11-12(16(17)18)8-9-14(15)19-13-6-4-3-5-7-13/h3-9,11H,2,10H2,1H3,(H,17,18)