1-ethylsulfanyl-4-methyl-1-phenyl-octan-3-one

Systemtic Name: 1-ethylsulfanyl-4-methyl-1-phenyl-octan-3-one Openeye Name: 1-ethylsulfanyl-4-methyl-1-phenyl-octan-3-one CAS Name: 1-(ethylthio)-4-methyl-1-phenyl-3-octanone IUPAC Name: 1-ethylsulfanyl-4-methyl-1-phenyloctan-3-one Traditional Name: 1-(ethylthio)-4-methyl-1-phenyl-octan-3-one Formula: C17H26OS MolecularWeight: 278.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(=O)CC(C1=CC=CC=C1)SCC

Isomeric SMILES

CCCCC(C)C(=O)CC(C1=CC=CC=C1)SCC

InChI

InChI=1S/C17H26OS/c1-4-6-10-14(3)16(18)13-17(19-5-2)15-11-8-7-9-12-15/h7-9,11-12,14,17H,4-6,10,13H2,1-3H3