(2S,5E,9S)-5,9-dimethyl-2-phenyl-2-prop-2-ynyl-cyclodec-5-en-1-one

Systemtic Name: (2S,5E,9S)-5,9-dimethyl-2-phenyl-2-prop-2-ynyl-cyclodec-5-en-1-one Openeye Name: (2S,5E,9S)-5,9-dimethyl-2-phenyl-2-prop-2-ynyl-cyclodec-5-en-1-one CAS Name: (2S,5E,9S)-5,9-dimethyl-2-phenyl-2-prop-2-ynyl-1-cyclodec-5-enone IUPAC Name: (2S,5E,9S)-5,9-dimethyl-2-phenyl-2-prop-2-ynylcyclodec-5-en-1-one Traditional Name: (2S,5E,9S)-5,9-dimethyl-2-phenyl-2-propargyl-cyclodec-5-en-1-one Formula: C21H26O MolecularWeight: 294.43054

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC=C(CCC(C(=O)C1)(CC#C)C2=CC=CC=C2)C

Isomeric SMILES

C[C@H]1CC/C=C(/CC[C@](C(=O)C1)(CC#C)C2=CC=CC=C2)\C

InChI

InChI=1S/C21H26O/c1-4-14-21(19-11-6-5-7-12-19)15-13-17(2)9-8-10-18(3)16-20(21)22/h1,5-7,9,11-12,18H,8,10,13-16H2,2-3H3/b17-9+/t18-,21+/m0/s1