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

Systemtic Name: 5-heptyl-4-methyl-1,3-dioxane; 3-pentylbicyclo[2.2.0]hexa-1(4),2,5-triene Openeye Name: 5-heptyl-4-methyl-1,3-dioxane; 3-pentylbicyclo[2.2.0]hexa-1(4),2,5-triene CAS Name: 5-heptyl-4-methyl-1,3-dioxane; 3-pentylbicyclo[2.2.0]hexa-1(4),2,5-triene IUPAC Name: 5-heptyl-4-methyl-1,3-dioxane; 3-pentylbicyclo[2.2.0]hexa-1(4),2,5-triene Traditional Name: 3-amylbicyclo[2.2.0]hexa-1(4),2,5-triene; 5-heptyl-4-methyl-1,3-dioxane Formula: C23H38O2 MolecularWeight: 346.54662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1COCOC1C.CCCCCC1=CC2=C1C=C2

Isomeric SMILES

CCCCCCCC1COCOC1C.CCCCCC1=CC2=C1C=C2

InChI

InChI=1S/C12H24O2.C11H14/c1-3-4-5-6-7-8-12-9-13-10-14-11(12)2;1-2-3-4-5-9-8-10-6-7-11(9)10/h11-12H,3-10H2,1-2H3;6-8H,2-5H2,1H3