(E)-6-(furan-2-ylmethylsulfanyl)-5-oxidanyl-13-phenyl-tridec-7-enoic acid

Systemtic Name: (E)-6-(furan-2-ylmethylsulfanyl)-5-oxidanyl-13-phenyl-tridec-7-enoic acid Openeye Name: (E)-6-(2-furylmethylsulfanyl)-5-hydroxy-13-phenyl-tridec-7-enoic acid CAS Name: (E)-6-(2-furanylmethylthio)-5-hydroxy-13-phenyl-7-tridecenoic acid IUPAC Name: (E)-6-(furan-2-ylmethylsulfanyl)-5-hydroxy-13-phenyltridec-7-enoic acid Traditional Name: (E)-6-(2-furfurylthio)-5-hydroxy-13-phenyl-tridec-7-enoic acid Formula: C24H32O4S MolecularWeight: 416.57348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32O4S/c25-22(15-9-17-24(26)27)23(29-19-21-14-10-18-28-21)16-8-3-1-2-5-11-20-12-6-4-7-13-20/h4,6-8,10,12-14,16,18,22-23,25H,1-3,5,9,11,15,17,19H2,(H,26,27)/b16-8+