(E)-6-(furan-2-ylmethylsulfanyl)-5-oxidanyl-8-phenyl-oct-7-enoic acid

Systemtic Name: (E)-6-(furan-2-ylmethylsulfanyl)-5-oxidanyl-8-phenyl-oct-7-enoic acid Openeye Name: (E)-6-(2-furylmethylsulfanyl)-5-hydroxy-8-phenyl-oct-7-enoic acid CAS Name: (E)-6-(2-furanylmethylthio)-5-hydroxy-8-phenyl-7-octenoic acid IUPAC Name: (E)-6-(furan-2-ylmethylsulfanyl)-5-hydroxy-8-phenyloct-7-enoic acid Traditional Name: (E)-6-(2-furfurylthio)-5-hydroxy-8-phenyl-oct-7-enoic acid Formula: C19H22O4S MolecularWeight: 346.44058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(C(CCCC(=O)O)O)SCC2=CC=CO2

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(C(CCCC(=O)O)O)SCC2=CC=CO2

InChI

InChI=1S/C19H22O4S/c20-17(9-4-10-19(21)22)18(24-14-16-8-5-13-23-16)12-11-15-6-2-1-3-7-15/h1-3,5-8,11-13,17-18,20H,4,9-10,14H2,(H,21,22)/b12-11+