12-[[3-iodanyl-2-(2-methoxyethoxymethoxy)-5-nitro-phenyl]methoxy]dodecanoic acid

Systemtic Name: 12-[[3-iodanyl-2-(2-methoxyethoxymethoxy)-5-nitro-phenyl]methoxy]dodecanoic acid Openeye Name: 12-[[3-iodo-2-(2-methoxyethoxymethoxy)-5-nitro-phenyl]methoxy]dodecanoic acid CAS Name: 12-[[3-iodo-2-(2-methoxyethoxymethoxy)-5-nitrophenyl]methoxy]dodecanoic acid IUPAC Name: 12-[[3-iodo-2-(2-methoxyethoxymethoxy)-5-nitrophenyl]methoxy]dodecanoic acid Traditional Name: 12-[3-iodo-2-(2-methoxyethoxymethoxy)-5-nitro-benzyl]oxylauric acid Formula: C23H36INO8 MolecularWeight: 581.43831

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC1=C(C=C(C=C1COCCCCCCCCCCCC(=O)O)[N+](=O)[O-])I

Isomeric SMILES

COCCOCOC1=C(C=C(C=C1COCCCCCCCCCCCC(=O)O)[N+](=O)[O-])I

InChI

InChI=1S/C23H36INO8/c1-30-13-14-32-18-33-23-19(15-20(25(28)29)16-21(23)24)17-31-12-10-8-6-4-2-3-5-7-9-11-22(26)27/h15-16H,2-14,17-18H2,1H3,(H,26,27)