3-butoxybicyclo[2.2.0]hexa-1(4),2,5-triene; 5-heptyl-4-methyl-1,3-dioxane

Systemtic Name: 3-butoxybicyclo[2.2.0]hexa-1(4),2,5-triene; 5-heptyl-4-methyl-1,3-dioxane Openeye Name: 3-butoxybicyclo[2.2.0]hexa-1(4),2,5-triene; 5-heptyl-4-methyl-1,3-dioxane CAS Name: 3-butoxybicyclo[2.2.0]hexa-1(4),2,5-triene; 5-heptyl-4-methyl-1,3-dioxane IUPAC Name: 3-butoxybicyclo[2.2.0]hexa-1(4),2,5-triene; 5-heptyl-4-methyl-1,3-dioxane Traditional Name: 3-butoxybicyclo[2.2.0]hexa-1(4),2,5-triene; 5-heptyl-4-methyl-1,3-dioxane Formula: C22H36O3 MolecularWeight: 348.51944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1COCOC1C.CCCCOC1=CC2=C1C=C2

Isomeric SMILES

CCCCCCCC1COCOC1C.CCCCOC1=CC2=C1C=C2

InChI

InChI=1S/C12H24O2.C10H12O/c1-3-4-5-6-7-8-12-9-13-10-14-11(12)2;1-2-3-6-11-10-7-8-4-5-9(8)10/h11-12H,3-10H2,1-2H3;4-5,7H,2-3,6H2,1H3