4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]-3-nitro-benzoic acid

Systemtic Name: 4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]-3-nitro-benzoic acid Openeye Name: 4-[2-[4-(1,1-dimethylpropyl)phenoxy]ethoxy]-3-nitro-benzoic acid CAS Name: 4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]-3-nitrobenzoic acid IUPAC Name: 4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]-3-nitrobenzoic acid Traditional Name: 4-[2-(4-tert-amylphenoxy)ethoxy]-3-nitro-benzoic acid Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H23NO6/c1-4-20(2,3)15-6-8-16(9-7-15)26-11-12-27-18-10-5-14(19(22)23)13-17(18)21(24)25/h5-10,13H,4,11-12H2,1-3H3,(H,22,23)