6-[3,6-bis(trifluoromethyl)phenanthren-9-yl]-3-butyl-2-pentyl-1,3-oxazinane

Systemtic Name: 6-[3,6-bis(trifluoromethyl)phenanthren-9-yl]-3-butyl-2-pentyl-1,3-oxazinane Openeye Name: 6-[3,6-bis(trifluoromethyl)-9-phenanthryl]-3-butyl-2-pentyl-1,3-oxazinane CAS Name: 6-[3,6-bis(trifluoromethyl)-9-phenanthrenyl]-3-butyl-2-pentyl-1,3-oxazinane IUPAC Name: 6-[3,6-bis(trifluoromethyl)phenanthren-9-yl]-3-butyl-2-pentyl-1,3-oxazinane Traditional Name: 2-amyl-6-[3,6-bis(trifluoromethyl)-9-phenanthryl]-3-butyl-1,3-oxazinane Formula: C29H33F6NO MolecularWeight: 525.568839

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1N(CCC(O1)C2=C3C=CC(=CC3=C4C=C(C=CC4=C2)C(F)(F)F)C(F)(F)F)CCCC

Isomeric SMILES

CCCCCC1N(CCC(O1)C2=C3C=CC(=CC3=C4C=C(C=CC4=C2)C(F)(F)F)C(F)(F)F)CCCC

InChI

InChI=1S/C29H33F6NO/c1-3-5-7-8-27-36(14-6-4-2)15-13-26(37-27)25-16-19-9-10-20(28(30,31)32)17-23(19)24-18-21(29(33,34)35)11-12-22(24)25/h9-12,16-18,26-27H,3-8,13-15H2,1-2H3