1-(4-octylsulfanylnaphthalen-1-yl)butan-1-one

Systemtic Name: 1-(4-octylsulfanylnaphthalen-1-yl)butan-1-one Openeye Name: 1-(4-octylsulfanyl-1-naphthyl)butan-1-one CAS Name: 1-[4-(octylthio)-1-naphthalenyl]-1-butanone IUPAC Name: 1-(4-octylsulfanylnaphthalen-1-yl)butan-1-one Traditional Name: 1-[4-(octylthio)-1-naphthyl]butan-1-one Formula: C22H30OS MolecularWeight: 342.538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC=C(C2=CC=CC=C21)C(=O)CCC

Isomeric SMILES

CCCCCCCCSC1=CC=C(C2=CC=CC=C21)C(=O)CCC

InChI

InChI=1S/C22H30OS/c1-3-5-6-7-8-11-17-24-22-16-15-19(21(23)12-4-2)18-13-9-10-14-20(18)22/h9-10,13-16H,3-8,11-12,17H2,1-2H3