6-[4-[(E)-3-(4-methoxyphenoxy)-3-oxidanylidene-prop-1-enyl]phenoxy]hexyl 2,2-dimethylbutanoate

Systemtic Name: 6-[4-[(E)-3-(4-methoxyphenoxy)-3-oxidanylidene-prop-1-enyl]phenoxy]hexyl 2,2-dimethylbutanoate Openeye Name: 6-[4-[(E)-3-(4-methoxyphenoxy)-3-oxo-prop-1-enyl]phenoxy]hexyl 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid 6-[4-[(E)-3-(4-methoxyphenoxy)-3-oxoprop-1-enyl]phenoxy]hexyl ester IUPAC Name: 6-[4-[(E)-3-(4-methoxyphenoxy)-3-oxoprop-1-enyl]phenoxy]hexyl 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid 6-[4-[(E)-3-keto-3-(4-methoxyphenoxy)prop-1-enyl]phenoxy]hexyl ester Formula: C28H36O6 MolecularWeight: 468.58184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCCCCCCOC1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)OC

Isomeric SMILES

CCC(C)(C)C(=O)OCCCCCCOC1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)OC

InChI

InChI=1S/C28H36O6/c1-5-28(2,3)27(30)33-21-9-7-6-8-20-32-24-13-10-22(11-14-24)12-19-26(29)34-25-17-15-23(31-4)16-18-25/h10-19H,5-9,20-21H2,1-4H3/b19-12+