4-(3-phenoxypropylsulfanyl)benzoic acid

Systemtic Name: 4-(3-phenoxypropylsulfanyl)benzoic acid Openeye Name: 4-(3-phenoxypropylsulfanyl)benzoic acid CAS Name: 4-(3-phenoxypropylthio)benzoic acid IUPAC Name: 4-(3-phenoxypropylsulfanyl)benzoic acid Traditional Name: 4-(3-phenoxypropylthio)benzoic acid Formula: C16H16O3S MolecularWeight: 288.36144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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