5-[2,2-dimethyl-1-(3-nitrophenyl)propyl]-6-oxidanyl-2-phenethyl-2-propyl-3H-pyran-4-one

Systemtic Name: 5-[2,2-dimethyl-1-(3-nitrophenyl)propyl]-6-oxidanyl-2-phenethyl-2-propyl-3H-pyran-4-one Openeye Name: 5-[2,2-dimethyl-1-(3-nitrophenyl)propyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one CAS Name: 5-[2,2-dimethyl-1-(3-nitrophenyl)propyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one IUPAC Name: 5-[2,2-dimethyl-1-(3-nitrophenyl)propyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one Traditional Name: 5-[2,2-dimethyl-1-(3-nitrophenyl)propyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one Formula: C27H33NO5 MolecularWeight: 451.55462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(=O)C(=C(O1)O)C(C2=CC(=CC=C2)[N+](=O)[O-])C(C)(C)C)CCC3=CC=CC=C3

Isomeric SMILES

CCCC1(CC(=O)C(=C(O1)O)C(C2=CC(=CC=C2)[N+](=O)[O-])C(C)(C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C27H33NO5/c1-5-15-27(16-14-19-10-7-6-8-11-19)18-22(29)23(25(30)33-27)24(26(2,3)4)20-12-9-13-21(17-20)28(31)32/h6-13,17,24,30H,5,14-16,18H2,1-4H3