2-(4-cyano-2,3,5-triethyl-phenyl)-2-ethyl-propane-1,1,3,3-tetracarboxylate

Systemtic Name: 2-(4-cyano-2,3,5-triethyl-phenyl)-2-ethyl-propane-1,1,3,3-tetracarboxylate Openeye Name: 2-(4-cyano-2,3,5-triethyl-phenyl)-2-ethyl-propane-1,1,3,3-tetracarboxylate CAS Name: 2-(4-cyano-2,3,5-triethylphenyl)-2-ethylpropane-1,1,3,3-tetracarboxylate IUPAC Name: 2-(4-cyano-2,3,5-triethylphenyl)-2-ethylpropane-1,1,3,3-tetracarboxylate Traditional Name: 2-(4-cyano-2,3,5-triethyl-phenyl)-2-ethyl-propane-1,1,3,3-tetracarboxylate Formula: C22H23NO8-4 MolecularWeight: 429.41992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1C#N)CC)CC)C(CC)(C(C(=O)[O-])C(=O)[O-])C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC1=CC(=C(C(=C1C#N)CC)CC)C(CC)(C(C(=O)[O-])C(=O)[O-])C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C22H27NO8/c1-5-11-9-15(13(7-3)12(6-2)14(11)10-23)22(8-4,16(18(24)25)19(26)27)17(20(28)29)21(30)31/h9,16-17H,5-8H2,1-4H3,(H,24,25)(H,26,27)(H,28,29)(H,30,31)/p-4