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4-(7-pentyl-1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)benzenecarbonitrile
4-(7-pentyl-1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)benzenecarbonitrile
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCC1CCC2=C(C1)C=CC3=C2CCC(C3)C4=CC=C(C=C4)C#N
Isomeric SMILES
CCCCCC1CCC2=C(C1)C=CC3=C2CCC(C3)C4=CC=C(C=C4)C#N
InChI
InChI=1S/C26H31N/c1-2-3-4-5-19-8-14-25-23(16-19)11-12-24-17-22(13-15-26(24)25)21-9-6-20(18-27)7-10-21/h6-7,9-12,19,22H,2-5,8,13-17H2,1H3
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