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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C1C=C2.CCCCCC1COCCO1

Isomeric SMILES

CCCCCCC1=CC2=C1C=C2.CCCCCC1COCCO1

InChI

InChI=1S/C12H16.C9H18O2/c1-2-3-4-5-6-10-9-11-7-8-12(10)11;1-2-3-4-5-9-8-10-6-7-11-9/h7-9H,2-6H2,1H3;9H,2-8H2,1H3