7-pentyl-3-propyl-3-[7,7,8-tris(fluoranyl)dodecan-6-yl]tridecan-2-one

Systemtic Name: 7-pentyl-3-propyl-3-[7,7,8-tris(fluoranyl)dodecan-6-yl]tridecan-2-one Openeye Name: 7-pentyl-3-propyl-3-(2,2,3-trifluoro-1-pentyl-heptyl)tridecan-2-one CAS Name: 7-pentyl-3-propyl-3-(7,7,8-trifluorododecan-6-yl)-2-tridecanone IUPAC Name: 7-pentyl-3-propyl-3-(7,7,8-trifluorododecan-6-yl)tridecan-2-one Traditional Name: 7-amyl-3-(1-amyl-2,2,3-trifluoro-heptyl)-3-propyl-tridecan-2-one Formula: C33H63F3O MolecularWeight: 532.84793

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCC)CCCC(CCC)(C(CCCCC)C(C(CCCC)F)(F)F)C(=O)C

Isomeric SMILES

CCCCCCC(CCCCC)CCCC(CCC)(C(CCCCC)C(C(CCCC)F)(F)F)C(=O)C

InChI

InChI=1S/C33H63F3O/c1-7-12-16-19-22-29(21-17-13-8-2)23-20-27-32(26-11-5,28(6)37)30(24-18-14-9-3)33(35,36)31(34)25-15-10-4/h29-31H,7-27H2,1-6H3