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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(C(=O)O1)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCCCC1CCC(C(=O)O1)C2=CC=C(C=C2)Br

InChI

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