bis(1-adamantyl)-(5-fluoranyl-2-methyl-phenyl)methanol

Systemtic Name: bis(1-adamantyl)-(5-fluoranyl-2-methyl-phenyl)methanol Openeye Name: bis(1-adamantyl)-(5-fluoro-2-methyl-phenyl)methanol CAS Name: bis(1-adamantyl)-(5-fluoro-2-methylphenyl)methanol IUPAC Name: bis(1-adamantyl)-(5-fluoro-2-methylphenyl)methanol Traditional Name: bis(1-adamantyl)-(5-fluoro-2-methyl-phenyl)methanol Formula: C28H37FO MolecularWeight: 408.591183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)C(C23CC4CC(C2)CC(C4)C3)(C56CC7CC(C5)CC(C7)C6)O

Isomeric SMILES

CC1=C(C=C(C=C1)F)C(C23CC4CC(C2)CC(C4)C3)(C56CC7CC(C5)CC(C7)C6)O

InChI

InChI=1S/C28H37FO/c1-17-2-3-24(29)10-25(17)28(30,26-11-18-4-19(12-26)6-20(5-18)13-26)27-14-21-7-22(15-27)9-23(8-21)16-27/h2-3,10,18-23,30H,4-9,11-16H2,1H3