6-(4-bromophenyl)-3-heptyl-oxan-2-one

Systemtic Name: 6-(4-bromophenyl)-3-heptyl-oxan-2-one Openeye Name: 6-(4-bromophenyl)-3-heptyl-tetrahydropyran-2-one CAS Name: 6-(4-bromophenyl)-3-heptyl-2-oxanone IUPAC Name: 6-(4-bromophenyl)-3-heptyloxan-2-one Traditional Name: 6-(4-bromophenyl)-3-heptyl-tetrahydropyran-2-one Formula: C18H25BrO2 MolecularWeight: 353.2939

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(OC1=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCCCC1CCC(OC1=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H25BrO2/c1-2-3-4-5-6-7-15-10-13-17(21-18(15)20)14-8-11-16(19)12-9-14/h8-9,11-12,15,17H,2-7,10,13H2,1H3