8-(furan-2-yl)-8-oxidanylidene-2-phenylsulfanyl-octanoic acid

Systemtic Name: 8-(furan-2-yl)-8-oxidanylidene-2-phenylsulfanyl-octanoic acid Openeye Name: 8-(2-furyl)-8-oxo-2-phenylsulfanyl-octanoic acid CAS Name: 8-(2-furanyl)-8-oxo-2-(phenylthio)octanoic acid IUPAC Name: 8-(furan-2-yl)-8-oxo-2-phenylsulfanyloctanoic acid Traditional Name: 8-(2-furyl)-8-keto-2-(phenylthio)caprylic acid Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(CCCCCC(=O)C2=CC=CO2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC(CCCCCC(=O)C2=CC=CO2)C(=O)O

InChI

InChI=1S/C18H20O4S/c19-15(16-11-7-13-22-16)10-5-2-6-12-17(18(20)21)23-14-8-3-1-4-9-14/h1,3-4,7-9,11,13,17H,2,5-6,10,12H2,(H,20,21)