6-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]hexyl 2,2-dimethylbutanoate

Systemtic Name: 6-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]hexyl 2,2-dimethylbutanoate Openeye Name: 6-[4-[(E)-2-(4-nitrophenyl)vinyl]phenoxy]hexyl 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid 6-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]hexyl ester IUPAC Name: 6-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]hexyl 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid 6-[4-[(E)-2-(4-nitrophenyl)vinyl]phenoxy]hexyl ester Formula: C26H33NO5 MolecularWeight: 439.54392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCCCCCCOC1=CC=C(C=C1)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C(=O)OCCCCCCOC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C26H33NO5/c1-4-26(2,3)25(28)32-20-8-6-5-7-19-31-24-17-13-22(14-18-24)10-9-21-11-15-23(16-12-21)27(29)30/h9-18H,4-8,19-20H2,1-3H3/b10-9+