1,1,1-tris(fluoranyl)-4-phenylsulfanyl-dodecan-2-one

Systemtic Name: 1,1,1-tris(fluoranyl)-4-phenylsulfanyl-dodecan-2-one Openeye Name: 1,1,1-trifluoro-4-phenylsulfanyl-dodecan-2-one CAS Name: 1,1,1-trifluoro-4-(phenylthio)-2-dodecanone IUPAC Name: 1,1,1-trifluoro-4-phenylsulfanyldodecan-2-one Traditional Name: 1,1,1-trifluoro-4-(phenylthio)dodecan-2-one Formula: C18H25F3OS MolecularWeight: 346.45071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(=O)C(F)(F)F)SC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCC(CC(=O)C(F)(F)F)SC1=CC=CC=C1

InChI

InChI=1S/C18H25F3OS/c1-2-3-4-5-6-8-13-16(14-17(22)18(19,20)21)23-15-11-9-7-10-12-15/h7,9-12,16H,2-6,8,13-14H2,1H3