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4-(7-hexyl-1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)benzenecarbonitrile
4-(7-hexyl-1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)benzenecarbonitrile
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCCC1CCC2=C(C1)C=CC3=C2CCC(C3)C4=CC=C(C=C4)C#N
Isomeric SMILES
CCCCCCC1CCC2=C(C1)C=CC3=C2CCC(C3)C4=CC=C(C=C4)C#N
InChI
InChI=1S/C27H33N/c1-2-3-4-5-6-20-9-15-26-24(17-20)12-13-25-18-23(14-16-27(25)26)22-10-7-21(19-28)8-11-22/h7-8,10-13,20,23H,2-6,9,14-18H2,1H3
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