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

Systemtic Name: 2-butyl-1,4-dioxane; 3-heptylbicyclo[2.2.0]hexa-1(4),2,5-triene Openeye Name: 2-butyl-1,4-dioxane; 3-heptylbicyclo[2.2.0]hexa-1(4),2,5-triene CAS Name: 2-butyl-1,4-dioxane; 3-heptylbicyclo[2.2.0]hexa-1(4),2,5-triene IUPAC Name: 2-butyl-1,4-dioxane; 3-heptylbicyclo[2.2.0]hexa-1(4),2,5-triene Traditional Name: 2-butyl-1,4-dioxane; 3-heptylbicyclo[2.2.0]hexa-1(4),2,5-triene Formula: C21H34O2 MolecularWeight: 318.49346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=C1C=C2.CCCCC1COCCO1

Isomeric SMILES

CCCCCCCC1=CC2=C1C=C2.CCCCC1COCCO1

InChI

InChI=1S/C13H18.C8H16O2/c1-2-3-4-5-6-7-11-10-12-8-9-13(11)12;1-2-3-4-8-7-9-5-6-10-8/h8-10H,2-7H2,1H3;8H,2-7H2,1H3