1-[5-(8-phenoxyoctylsulfanyl)furan-2-yl]butan-1-one

Systemtic Name: 1-[5-(8-phenoxyoctylsulfanyl)furan-2-yl]butan-1-one Openeye Name: 1-[5-(8-phenoxyoctylsulfanyl)-2-furyl]butan-1-one CAS Name: 1-[5-(8-phenoxyoctylthio)-2-furanyl]-1-butanone IUPAC Name: 1-[5-(8-phenoxyoctylsulfanyl)furan-2-yl]butan-1-one Traditional Name: 1-[5-(8-phenoxyoctylthio)-2-furyl]butan-1-one Formula: C22H30O3S MolecularWeight: 374.5368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=C(O1)SCCCCCCCCOC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)C1=CC=C(O1)SCCCCCCCCOC2=CC=CC=C2

InChI

InChI=1S/C22H30O3S/c1-2-12-20(23)21-15-16-22(25-21)26-18-11-6-4-3-5-10-17-24-19-13-8-7-9-14-19/h7-9,13-16H,2-6,10-12,17-18H2,1H3