4,6-dioxabicyclo[3.1.1]heptane; 1-phenylmethoxy-4-propyl-benzene

Systemtic Name: 4,6-dioxabicyclo[3.1.1]heptane; 1-phenylmethoxy-4-propyl-benzene Openeye Name: 1-benzyloxy-4-propyl-benzene; 4,6-dioxabicyclo[3.1.1]heptane CAS Name: 4,6-dioxabicyclo[3.1.1]heptane; 1-phenylmethoxy-4-propylbenzene IUPAC Name: 4,6-dioxabicyclo[3.1.1]heptane; 1-phenylmethoxy-4-propylbenzene Traditional Name: 1-benzoxy-4-propyl-benzene; 4,6-dioxabicyclo[3.1.1]heptane Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC2=CC=CC=C2.C1COC2CC1O2

Isomeric SMILES

CCCC1=CC=C(C=C1)OCC2=CC=CC=C2.C1COC2CC1O2

InChI

InChI=1S/C16H18O.C5H8O2/c1-2-6-14-9-11-16(12-10-14)17-13-15-7-4-3-5-8-15;1-2-6-5-3-4(1)7-5/h3-5,7-12H,2,6,13H2,1H3;4-5H,1-3H2