2-bromanyl-1-[4-(4-propylcyclohexyl)phenyl]heptan-1-one

Systemtic Name: 2-bromanyl-1-[4-(4-propylcyclohexyl)phenyl]heptan-1-one Openeye Name: 2-bromo-1-[4-(4-propylcyclohexyl)phenyl]heptan-1-one CAS Name: 2-bromo-1-[4-(4-propylcyclohexyl)phenyl]-1-heptanone IUPAC Name: 2-bromo-1-[4-(4-propylcyclohexyl)phenyl]heptan-1-one Traditional Name: 2-bromo-1-[4-(4-propylcyclohexyl)phenyl]heptan-1-one Formula: C22H33BrO MolecularWeight: 393.40082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)C1=CC=C(C=C1)C2CCC(CC2)CCC)Br

Isomeric SMILES

CCCCCC(C(=O)C1=CC=C(C=C1)C2CCC(CC2)CCC)Br

InChI

InChI=1S/C22H33BrO/c1-3-5-6-8-21(23)22(24)20-15-13-19(14-16-20)18-11-9-17(7-4-2)10-12-18/h13-18,21H,3-12H2,1-2H3