6-[(E)-but-1-enyl]-1,5,5-trimethyl-cyclohexa-1,2-diene

Systemtic Name: 6-[(E)-but-1-enyl]-1,5,5-trimethyl-cyclohexa-1,2-diene Openeye Name: 6-[(E)-but-1-enyl]-1,5,5-trimethyl-cyclohexa-1,2-diene CAS Name: 6-[(E)-but-1-enyl]-1,5,5-trimethylcyclohexa-1,2-diene IUPAC Name: 6-[(E)-but-1-enyl]-1,5,5-trimethylcyclohexa-1,2-diene Traditional Name: 6-[(E)-but-1-enyl]-1,5,5-trimethyl-cyclohexa-1,2-diene Formula: C13H20 MolecularWeight: 176.2979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1C(=C=CCC1(C)C)C

Isomeric SMILES

CC/C=C/C1C(=C=CCC1(C)C)C

InChI

InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h6-7,9,12H,5,10H2,1-4H3/b9-6+