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

Systemtic Name: 2-ethyl-2-(2,3,5-triethyl-4-nitro-phenyl)propane-1,1,3,3-tetracarboxylate Openeye Name: 2-ethyl-2-(2,3,5-triethyl-4-nitro-phenyl)propane-1,1,3,3-tetracarboxylate CAS Name: 2-ethyl-2-(2,3,5-triethyl-4-nitrophenyl)propane-1,1,3,3-tetracarboxylate IUPAC Name: 2-ethyl-2-(2,3,5-triethyl-4-nitrophenyl)propane-1,1,3,3-tetracarboxylate Traditional Name: 2-ethyl-2-(2,3,5-triethyl-4-nitro-phenyl)propane-1,1,3,3-tetracarboxylate Formula: C21H23NO10-4 MolecularWeight: 449.40802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1)C(CC)(C(C(=O)[O-])C(=O)[O-])C(C(=O)[O-])C(=O)[O-])CC)CC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=C(C(=C1)C(CC)(C(C(=O)[O-])C(=O)[O-])C(C(=O)[O-])C(=O)[O-])CC)CC)[N+](=O)[O-]

InChI

InChI=1S/C21H27NO10/c1-5-10-9-13(11(6-2)12(7-3)16(10)22(31)32)21(8-4,14(17(23)24)18(25)26)15(19(27)28)20(29)30/h9,14-15H,5-8H2,1-4H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)/p-4