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4-(6-fluoranyl-7-heptyl-5,6,7,8-tetrahydrophenanthren-2-yl)benzenecarbonitrile
4-(6-fluoranyl-7-heptyl-5,6,7,8-tetrahydrophenanthren-2-yl)benzenecarbonitrile
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCCCC1CC2=C(CC1F)C3=C(C=C2)C=C(C=C3)C4=CC=C(C=C4)C#N
Isomeric SMILES
CCCCCCCC1CC2=C(CC1F)C3=C(C=C2)C=C(C=C3)C4=CC=C(C=C4)C#N
InChI
InChI=1S/C28H30FN/c1-2-3-4-5-6-7-25-17-24-13-12-23-16-22(21-10-8-20(19-30)9-11-21)14-15-26(23)27(24)18-28(25)29/h8-16,25,28H,2-7,17-18H2,1H3
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