[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoate CAS Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoate Traditional Name: 4-(2,4-ditert-amylphenoxy)butyric acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C28H37NO6 MolecularWeight: 483.59648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37NO6/c1-7-27(3,4)21-13-16-25(23(18-21)28(5,6)8-2)34-17-9-10-26(31)35-19-24(30)20-11-14-22(15-12-20)29(32)33/h11-16,18H,7-10,17,19H2,1-6H3