(E)-12-fluoranyl-2,2-dimethyl-13-phenyl-tridec-12-en-3-one

Systemtic Name: (E)-12-fluoranyl-2,2-dimethyl-13-phenyl-tridec-12-en-3-one Openeye Name: (E)-12-fluoro-2,2-dimethyl-13-phenyl-tridec-12-en-3-one CAS Name: (E)-12-fluoro-2,2-dimethyl-13-phenyl-12-tridecen-3-one IUPAC Name: (E)-12-fluoro-2,2-dimethyl-13-phenyltridec-12-en-3-one Traditional Name: (E)-12-fluoro-2,2-dimethyl-13-phenyl-tridec-12-en-3-one Formula: C21H31FO MolecularWeight: 318.468643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CCCCCCCCC(=CC1=CC=CC=C1)F

Isomeric SMILES

CC(C)(C)C(=O)CCCCCCCC/C(=C\C1=CC=CC=C1)/F

InChI

InChI=1S/C21H31FO/c1-21(2,3)20(23)16-12-7-5-4-6-11-15-19(22)17-18-13-9-8-10-14-18/h8-10,13-14,17H,4-7,11-12,15-16H2,1-3H3/b19-17+