methyl 3-nitro-4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]benzoate

Systemtic Name: methyl 3-nitro-4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]benzoate Openeye Name: methyl 3-nitro-4-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]benzoate CAS Name: 3-nitro-4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]benzoate Traditional Name: 3-nitro-4-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]benzoic acid methyl ester Formula: C24H31NO6 MolecularWeight: 429.50604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO6/c1-23(2,3)16-24(4,5)18-8-10-19(11-9-18)30-13-14-31-21-12-7-17(22(26)29-6)15-20(21)25(27)28/h7-12,15H,13-14,16H2,1-6H3