(E)-but-2-enal; 1,2,3-trimethylcyclohexene

Systemtic Name: (E)-but-2-enal; 1,2,3-trimethylcyclohexene Openeye Name: (E)-but-2-enal; 1,2,3-trimethylcyclohexene CAS Name: (E)-2-butenal; 1,2,3-trimethylcyclohexene IUPAC Name: (E)-but-2-enal; 1,2,3-trimethylcyclohexene Traditional Name: (E)-but-2-enal; 1,2,3-trimethylcyclohexene Formula: C13H22O MolecularWeight: 194.31318

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=O.CC1CCCC(=C1C)C

Isomeric SMILES

C/C=C/C=O.CC1CCCC(=C1C)C

InChI

InChI=1S/C9H16.C4H6O/c1-7-5-4-6-8(2)9(7)3;1-2-3-4-5/h7H,4-6H2,1-3H3;2-4H,1H3/b;3-2+