2-ethanoyl-3-(3-nitrophenyl)-4-octadecoxycarbonyl-5-oxidanylidene-hexanoic acid

Systemtic Name: 2-ethanoyl-3-(3-nitrophenyl)-4-octadecoxycarbonyl-5-oxidanylidene-hexanoic acid Openeye Name: 2-acetyl-3-(3-nitrophenyl)-4-octadecoxycarbonyl-5-oxo-hexanoic acid CAS Name: 2-acetyl-3-(3-nitrophenyl)-4-[octadecoxy(oxo)methyl]-5-oxohexanoic acid IUPAC Name: 2-acetyl-3-(3-nitrophenyl)-4-octadecoxycarbonyl-5-oxohexanoic acid Traditional Name: 2-acetyl-5-keto-3-(3-nitrophenyl)-4-stearyloxycarbonyl-hexanoic acid Formula: C33H51NO8 MolecularWeight: 589.75994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(C(C1=CC(=CC=C1)[N+](=O)[O-])C(C(=O)C)C(=O)O)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C(C1=CC(=CC=C1)[N+](=O)[O-])C(C(=O)C)C(=O)O)C(=O)C

InChI

InChI=1S/C33H51NO8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-42-33(39)30(26(3)36)31(29(25(2)35)32(37)38)27-21-20-22-28(24-27)34(40)41/h20-22,24,29-31H,4-19,23H2,1-3H3,(H,37,38)