(2S)-2-methyl-2-(2-methylbut-3-en-2-yl)-5-oxidanylidene-hexanal

Systemtic Name: (2S)-2-methyl-2-(2-methylbut-3-en-2-yl)-5-oxidanylidene-hexanal Openeye Name: (2S)-2-(1,1-dimethylallyl)-2-methyl-5-oxo-hexanal CAS Name: (2S)-2-methyl-2-(2-methylbut-3-en-2-yl)-5-oxohexanal IUPAC Name: (2S)-2-methyl-2-(2-methylbut-3-en-2-yl)-5-oxohexanal Traditional Name: (2S)-2-(3-ketobutyl)-2,3,3-trimethyl-pent-4-enal Formula: C12H20O2 MolecularWeight: 196.286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(C)(C=O)C(C)(C)C=C

Isomeric SMILES

CC(=O)CC[C@](C)(C=O)C(C)(C)C=C

InChI

InChI=1S/C12H20O2/c1-6-11(3,4)12(5,9-13)8-7-10(2)14/h6,9H,1,7-8H2,2-5H3/t12-/m1/s1