2,4-bis[4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butoxy]-5-nitro-benzoic acid

Systemtic Name: 2,4-bis[4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butoxy]-5-nitro-benzoic acid Openeye Name: 2,4-bis(4-tert-butoxy-4-oxo-butoxy)-5-nitro-benzoic acid CAS Name: 2,4-bis[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]-5-nitrobenzoic acid IUPAC Name: 2,4-bis[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]-5-nitrobenzoic acid Traditional Name: 2,4-bis(4-tert-butoxy-4-keto-butoxy)-5-nitro-benzoic acid Formula: C23H33NO10 MolecularWeight: 483.50882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCOC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])OCCCC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CCCOC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])OCCCC(=O)OC(C)(C)C

InChI

InChI=1S/C23H33NO10/c1-22(2,3)33-19(25)9-7-11-31-17-14-18(16(24(29)30)13-15(17)21(27)28)32-12-8-10-20(26)34-23(4,5)6/h13-14H,7-12H2,1-6H3,(H,27,28)