3-butyl-1,3,5-tritert-butyl-cyclohexa-1,4-diene

Systemtic Name: 3-butyl-1,3,5-tritert-butyl-cyclohexa-1,4-diene Openeye Name: 3-butyl-1,3,5-tritert-butyl-cyclohexa-1,4-diene CAS Name: 3-butyl-1,3,5-tritert-butylcyclohexa-1,4-diene IUPAC Name: 3-butyl-1,3,5-tritert-butylcyclohexa-1,4-diene Traditional Name: 3-butyl-1,3,5-tritert-butyl-cyclohexa-1,4-diene Formula: C22H40 MolecularWeight: 304.553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=C(CC(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCC1(C=C(CC(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C22H40/c1-11-12-13-22(21(8,9)10)15-17(19(2,3)4)14-18(16-22)20(5,6)7/h15-16H,11-14H2,1-10H3