(E)-5-(4-ethanoyl-2,5,5-trimethyl-3-oxidanylidene-cyclopenten-1-yl)-3-methyl-pent-2-en-4-ynal

Systemtic Name: (E)-5-(4-ethanoyl-2,5,5-trimethyl-3-oxidanylidene-cyclopenten-1-yl)-3-methyl-pent-2-en-4-ynal Openeye Name: (E)-5-(4-acetyl-2,5,5-trimethyl-3-oxo-cyclopenten-1-yl)-3-methyl-pent-2-en-4-ynal CAS Name: (E)-5-(4-acetyl-2,5,5-trimethyl-3-oxo-1-cyclopentenyl)-3-methylpent-2-en-4-ynal IUPAC Name: (E)-5-(4-acetyl-2,5,5-trimethyl-3-oxocyclopenten-1-yl)-3-methylpent-2-en-4-ynal Traditional Name: (E)-5-(4-acetyl-3-keto-2,5,5-trimethyl-cyclopenten-1-yl)-3-methyl-pent-2-en-4-ynal Formula: C16H18O3 MolecularWeight: 258.31232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(C1=O)C(=O)C)(C)C)C#CC(=CC=O)C

Isomeric SMILES

CC1=C(C(C(C1=O)C(=O)C)(C)C)C#C/C(=C/C=O)/C

InChI

InChI=1S/C16H18O3/c1-10(8-9-17)6-7-13-11(2)15(19)14(12(3)18)16(13,4)5/h8-9,14H,1-5H3/b10-8+