3-cyano-4-ethenoxycarbonyl-2,2,4,5,5-pentamethyl-6-[3-(2-methylprop-2-enoyloxy)-2-oxidanyl-propoxy]-6-oxidanylidene-hexanoic acid

Systemtic Name: 3-cyano-4-ethenoxycarbonyl-2,2,4,5,5-pentamethyl-6-[3-(2-methylprop-2-enoyloxy)-2-oxidanyl-propoxy]-6-oxidanylidene-hexanoic acid Openeye Name: 3-cyano-6-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-2,2,4,5,5-pentamethyl-6-oxo-4-vinyloxycarbonyl-hexanoic acid CAS Name: 3-cyano-4-[ethenoxy(oxo)methyl]-6-[2-hydroxy-3-(2-methyl-1-oxoprop-2-enoxy)propoxy]-2,2,4,5,5-pentamethyl-6-oxohexanoic acid IUPAC Name: 3-cyano-4-ethenoxycarbonyl-6-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-2,2,4,5,5-pentamethyl-6-oxohexanoic acid Traditional Name: 3-cyano-6-(2-hydroxy-3-methacryloyloxy-propoxy)-6-keto-2,2,4,5,5-pentamethyl-4-vinyloxycarbonyl-hexanoic acid Formula: C22H31NO9 MolecularWeight: 453.48284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCC(COC(=O)C(C)(C)C(C)(C(C#N)C(C)(C)C(=O)O)C(=O)OC=C)O

Isomeric SMILES

CC(=C)C(=O)OCC(COC(=O)C(C)(C)C(C)(C(C#N)C(C)(C)C(=O)O)C(=O)OC=C)O

InChI

InChI=1S/C22H31NO9/c1-9-30-19(29)22(8,15(10-23)20(4,5)17(26)27)21(6,7)18(28)32-12-14(24)11-31-16(25)13(2)3/h9,14-15,24H,1-2,11-12H2,3-8H3,(H,26,27)