4,5,6,7,8-pentaacetyloxy-3-(1-acetyloxy-2-nitro-ethyl)octanoic acid

Systemtic Name: 4,5,6,7,8-pentaacetyloxy-3-(1-acetyloxy-2-nitro-ethyl)octanoic acid Openeye Name: 4,5,6,7,8-pentaacetoxy-3-(1-acetoxy-2-nitro-ethyl)octanoic acid CAS Name: 4,5,6,7,8-pentaacetyloxy-3-(1-acetyloxy-2-nitroethyl)octanoic acid IUPAC Name: 4,5,6,7,8-pentaacetyloxy-3-(1-acetyloxy-2-nitroethyl)octanoic acid Traditional Name: 4,5,6,7,8-pentaacetoxy-3-(1-acetoxy-2-nitro-ethyl)caprylic acid Formula: C22H31NO16 MolecularWeight: 565.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C(C(C(CC(=O)O)C(C[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC(C(C(C(C(CC(=O)O)C(C[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H31NO16/c1-10(24)34-9-18(36-12(3)26)21(38-14(5)28)22(39-15(6)29)20(37-13(4)27)16(7-19(30)31)17(8-23(32)33)35-11(2)25/h16-18,20-22H,7-9H2,1-6H3,(H,30,31)