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5-heptyl-2-[2-[4-(4-hexylphenyl)cyclohexyl]ethynyl]benzenecarbonitrile
5-heptyl-2-[2-[4-(4-hexylphenyl)cyclohexyl]ethynyl]benzenecarbonitrile
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Canonical SMILES:
CCCCCCCC1=CC(=C(C=C1)C#CC2CCC(CC2)C3=CC=C(C=C3)CCCCCC)C#N
Isomeric SMILES
CCCCCCCC1=CC(=C(C=C1)C#CC2CCC(CC2)C3=CC=C(C=C3)CCCCCC)C#N
InChI
InChI=1S/C34H45N/c1-3-5-7-9-11-13-30-19-25-33(34(26-30)27-35)24-18-29-16-22-32(23-17-29)31-20-14-28(15-21-31)12-10-8-6-4-2/h14-15,19-21,25-26,29,32H,3-13,16-17,22-23H2,1-2H3
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