1-butyl-4-(4-iodophenyl)-2-methyl-3,5,8-trioxabicyclo[2.2.2]octane

Systemtic Name: 1-butyl-4-(4-iodophenyl)-2-methyl-3,5,8-trioxabicyclo[2.2.2]octane Openeye Name: 1-butyl-4-(4-iodophenyl)-2-methyl-3,5,8-trioxabicyclo[2.2.2]octane CAS Name: 1-butyl-4-(4-iodophenyl)-2-methyl-3,5,8-trioxabicyclo[2.2.2]octane IUPAC Name: 1-butyl-4-(4-iodophenyl)-2-methyl-3,5,8-trioxabicyclo[2.2.2]octane Traditional Name: 1-butyl-4-(4-iodophenyl)-2-methyl-3,5,8-trioxabicyclo[2.2.2]octane Formula: C16H21IO3 MolecularWeight: 388.24061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC12COC(OC1)(OC2C)C3=CC=C(C=C3)I

Isomeric SMILES

CCCCC12COC(OC1)(OC2C)C3=CC=C(C=C3)I

InChI

InChI=1S/C16H21IO3/c1-3-4-9-15-10-18-16(19-11-15,20-12(15)2)13-5-7-14(17)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3