8-ethanoyl-13-(3-nitrophenoxy)-12-oxidanyl-tridecanoic acid

Systemtic Name: 8-ethanoyl-13-(3-nitrophenoxy)-12-oxidanyl-tridecanoic acid Openeye Name: 8-acetyl-12-hydroxy-13-(3-nitrophenoxy)tridecanoic acid CAS Name: 8-acetyl-12-hydroxy-13-(3-nitrophenoxy)tridecanoic acid IUPAC Name: 8-acetyl-12-hydroxy-13-(3-nitrophenoxy)tridecanoic acid Traditional Name: 8-acetyl-12-hydroxy-13-(3-nitrophenoxy)tridecanoic acid Formula: C21H31NO7 MolecularWeight: 409.47334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO7/c1-16(23)17(8-4-2-3-5-13-21(25)26)9-6-11-19(24)15-29-20-12-7-10-18(14-20)22(27)28/h7,10,12,14,17,19,24H,2-6,8-9,11,13,15H2,1H3,(H,25,26)