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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoate Openeye Name: [2-(4-bromophenyl)-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-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoate Traditional Name: 4-(2,4-ditert-amylphenoxy)butyric acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C28H37BrO4 MolecularWeight: 517.49498

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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)Br)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)OCC(=O)C2=CC=C(C=C2)Br)C(C)(C)CC

InChI

InChI=1S/C28H37BrO4/c1-7-27(3,4)21-13-16-25(23(18-21)28(5,6)8-2)32-17-9-10-26(31)33-19-24(30)20-11-14-22(29)15-12-20/h11-16,18H,7-10,17,19H2,1-6H3