(E)-3-[(6S)-2,2,6-trimethylcyclohexyl]prop-2-enal

Systemtic Name: (E)-3-[(6S)-2,2,6-trimethylcyclohexyl]prop-2-enal Openeye Name: (E)-3-[(6S)-2,2,6-trimethylcyclohexyl]prop-2-enal CAS Name: (E)-3-[(6S)-2,2,6-trimethylcyclohexyl]-2-propenal IUPAC Name: (E)-3-[(6S)-2,2,6-trimethylcyclohexyl]prop-2-enal Traditional Name: (E)-3-[(6S)-2,2,6-trimethylcyclohexyl]acrolein Formula: C12H20O MolecularWeight: 180.2866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCCC(C1/C=C/C=O)(C)C

InChI

InChI=1S/C12H20O/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h5,7,9-11H,4,6,8H2,1-3H3/b7-5+/t10-,11?/m0/s1