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4-(7-heptyl-1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)benzenecarbonitrile
4-(7-heptyl-1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)benzenecarbonitrile
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCCCC1CCC2=C(C1)C=CC3=C2CCC(C3)C4=CC=C(C=C4)C#N
Isomeric SMILES
CCCCCCCC1CCC2=C(C1)C=CC3=C2CCC(C3)C4=CC=C(C=C4)C#N
InChI
InChI=1S/C28H35N/c1-2-3-4-5-6-7-21-10-16-27-25(18-21)13-14-26-19-24(15-17-28(26)27)23-11-8-22(20-29)9-12-23/h8-9,11-14,21,24H,2-7,10,15-19H2,1H3
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