(E)-but-2-enal; 1,1,2-trimethylcyclohexane

Systemtic Name: (E)-but-2-enal; 1,1,2-trimethylcyclohexane Openeye Name: (E)-but-2-enal; 1,1,2-trimethylcyclohexane CAS Name: (E)-2-butenal; 1,1,2-trimethylcyclohexane IUPAC Name: (E)-but-2-enal; 1,1,2-trimethylcyclohexane Traditional Name: (E)-but-2-enal; 1,1,2-trimethylcyclohexane Formula: C13H24O MolecularWeight: 196.32906

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=O.CC1CCCCC1(C)C

Isomeric SMILES

C/C=C/C=O.CC1CCCCC1(C)C

InChI

InChI=1S/C9H18.C4H6O/c1-8-6-4-5-7-9(8,2)3;1-2-3-4-5/h8H,4-7H2,1-3H3;2-4H,1H3/b;3-2+