9-(furan-2-yl)-8-oxidanyl-9-oxidanylidene-2-phenylsulfanyl-nonanoic acid

Systemtic Name: 9-(furan-2-yl)-8-oxidanyl-9-oxidanylidene-2-phenylsulfanyl-nonanoic acid Openeye Name: 9-(2-furyl)-8-hydroxy-9-oxo-2-phenylsulfanyl-nonanoic acid CAS Name: 9-(2-furanyl)-8-hydroxy-9-oxo-2-(phenylthio)nonanoic acid IUPAC Name: 9-(furan-2-yl)-8-hydroxy-9-oxo-2-phenylsulfanylnonanoic acid Traditional Name: 9-(2-furyl)-8-hydroxy-9-keto-2-(phenylthio)pelargonic acid Formula: C19H22O5S MolecularWeight: 362.43998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22O5S/c20-15(18(21)16-11-7-13-24-16)10-5-2-6-12-17(19(22)23)25-14-8-3-1-4-9-14/h1,3-4,7-9,11,13,15,17,20H,2,5-6,10,12H2,(H,22,23)