bicyclo[2.2.0]hexa-1(4),2,5-triene; 6-[4-(4-bromanylbutyl)phenyl]hexanenitrile

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 6-[4-(4-bromanylbutyl)phenyl]hexanenitrile Openeye Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 6-[4-(4-bromobutyl)phenyl]hexanenitrile CAS Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 6-[4-(4-bromobutyl)phenyl]hexanenitrile IUPAC Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 6-[4-(4-bromobutyl)phenyl]hexanenitrile Traditional Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 6-[4-(4-bromobutyl)phenyl]hexanenitrile Formula: C22H26BrN MolecularWeight: 384.35254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C1C=C2.C1=CC(=CC=C1CCCCCC#N)CCCCBr

Isomeric SMILES

C1=CC2=C1C=C2.C1=CC(=CC=C1CCCCCC#N)CCCCBr

InChI

InChI=1S/C16H22BrN.C6H4/c17-13-5-4-8-16-11-9-15(10-12-16)7-3-1-2-6-14-18;1-2-6-4-3-5(1)6/h9-12H,1-8,13H2;1-4H