1-bromanyl-2-fluoranyl-4-[2-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]ethynyl]benzene

Systemtic Name: 1-bromanyl-2-fluoranyl-4-[2-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]ethynyl]benzene Openeye Name: 1-bromo-2-fluoro-4-[2-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]ethynyl]benzene CAS Name: 1-bromo-2-fluoro-4-[2-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]ethynyl]benzene IUPAC Name: 1-bromo-2-fluoro-4-[2-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]ethynyl]benzene Traditional Name: 4-[2-[1-amyl-4-(4-amylcyclohexyl)cyclohexyl]ethynyl]-1-bromo-2-fluoro-benzene Formula: C30H44BrF MolecularWeight: 503.572763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2CCC(CC2)(CCCCC)C#CC3=CC(=C(C=C3)Br)F

Isomeric SMILES

CCCCCC1CCC(CC1)C2CCC(CC2)(CCCCC)C#CC3=CC(=C(C=C3)Br)F

InChI

InChI=1S/C30H44BrF/c1-3-5-7-9-24-10-13-26(14-11-24)27-17-21-30(22-18-27,19-8-6-4-2)20-16-25-12-15-28(31)29(32)23-25/h12,15,23-24,26-27H,3-11,13-14,17-19,21-22H2,1-2H3