2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-5-nitro-benzoic acid

Systemtic Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-5-nitro-benzoic acid Openeye Name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro-benzoic acid CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-5-nitrobenzoic acid IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-5-nitrobenzoic acid Traditional Name: 2-(2,4-ditert-amylphenoxy)-5-nitro-benzoic acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C(C)(C)CC

InChI

InChI=1S/C23H29NO5/c1-7-22(3,4)15-9-11-20(18(13-15)23(5,6)8-2)29-19-12-10-16(24(27)28)14-17(19)21(25)26/h9-14H,7-8H2,1-6H3,(H,25,26)