ethyl 8-ethanoyl-13-(3-nitrophenoxy)-12-oxidanyl-tridecanoate

Systemtic Name: ethyl 8-ethanoyl-13-(3-nitrophenoxy)-12-oxidanyl-tridecanoate Openeye Name: ethyl 8-acetyl-12-hydroxy-13-(3-nitrophenoxy)tridecanoate CAS Name: 8-acetyl-12-hydroxy-13-(3-nitrophenoxy)tridecanoic acid ethyl ester IUPAC Name: ethyl 8-acetyl-12-hydroxy-13-(3-nitrophenoxy)tridecanoate Traditional Name: 8-acetyl-12-hydroxy-13-(3-nitrophenoxy)tridecanoic acid ethyl ester Formula: C23H35NO7 MolecularWeight: 437.5265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC(CCCC(COC1=CC=CC(=C1)[N+](=O)[O-])O)C(=O)C

Isomeric SMILES

CCOC(=O)CCCCCCC(CCCC(COC1=CC=CC(=C1)[N+](=O)[O-])O)C(=O)C

InChI

InChI=1S/C23H35NO7/c1-3-30-23(27)15-7-5-4-6-10-19(18(2)25)11-8-13-21(26)17-31-22-14-9-12-20(16-22)24(28)29/h9,12,14,16,19,21,26H,3-8,10-11,13,15,17H2,1-2H3