methyl 2-[1-(3-nitrophenyl)propyl]-5-oxidanyl-3-oxidanylidene-5-phenethyl-octanoate

Systemtic Name: methyl 2-[1-(3-nitrophenyl)propyl]-5-oxidanyl-3-oxidanylidene-5-phenethyl-octanoate Openeye Name: methyl 5-hydroxy-2-[1-(3-nitrophenyl)propyl]-3-oxo-5-phenethyl-octanoate CAS Name: 5-hydroxy-2-[1-(3-nitrophenyl)propyl]-3-oxo-5-phenethyloctanoic acid methyl ester IUPAC Name: methyl 5-hydroxy-2-[1-(3-nitrophenyl)propyl]-3-oxo-5-phenethyloctanoate Traditional Name: 5-hydroxy-3-keto-2-[1-(3-nitrophenyl)propyl]-5-phenethyl-caprylic acid methyl ester Formula: C26H33NO6 MolecularWeight: 455.54332

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC1=CC=CC=C1)(CC(=O)C(C(CC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)O

Isomeric SMILES

CCCC(CCC1=CC=CC=C1)(CC(=O)C(C(CC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)O

InChI

InChI=1S/C26H33NO6/c1-4-15-26(30,16-14-19-10-7-6-8-11-19)18-23(28)24(25(29)33-3)22(5-2)20-12-9-13-21(17-20)27(31)32/h6-13,17,22,24,30H,4-5,14-16,18H2,1-3H3