3-heptylbicyclo[2.2.0]hexa-1(4),2,5-triene; 2-pentyl-1,4-dioxane

Systemtic Name: 3-heptylbicyclo[2.2.0]hexa-1(4),2,5-triene; 2-pentyl-1,4-dioxane Openeye Name: 3-heptylbicyclo[2.2.0]hexa-1(4),2,5-triene; 2-pentyl-1,4-dioxane CAS Name: 3-heptylbicyclo[2.2.0]hexa-1(4),2,5-triene; 2-pentyl-1,4-dioxane IUPAC Name: 3-heptylbicyclo[2.2.0]hexa-1(4),2,5-triene; 2-pentyl-1,4-dioxane Traditional Name: 2-amyl-1,4-dioxane; 3-heptylbicyclo[2.2.0]hexa-1(4),2,5-triene Formula: C22H36O2 MolecularWeight: 332.52004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=C1C=C2.CCCCCC1COCCO1

Isomeric SMILES

CCCCCCCC1=CC2=C1C=C2.CCCCCC1COCCO1

InChI

InChI=1S/C13H18.C9H18O2/c1-2-3-4-5-6-7-11-10-12-8-9-13(11)12;1-2-3-4-5-9-8-10-6-7-11-9/h8-10H,2-7H2,1H3;9H,2-8H2,1H3