8-[(E)-3-(4-ethoxy-3-propoxy-phenyl)prop-2-enoyl]oxyoctyl 2,2-dimethylbutanoate

Systemtic Name: 8-[(E)-3-(4-ethoxy-3-propoxy-phenyl)prop-2-enoyl]oxyoctyl 2,2-dimethylbutanoate Openeye Name: 8-[(E)-3-(4-ethoxy-3-propoxy-phenyl)prop-2-enoyl]oxyoctyl 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid 8-[(E)-3-(4-ethoxy-3-propoxyphenyl)-1-oxoprop-2-enoxy]octyl ester IUPAC Name: 8-[(E)-3-(4-ethoxy-3-propoxyphenyl)prop-2-enoyl]oxyoctyl 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid 8-[(E)-3-(4-ethoxy-3-propoxy-phenyl)acryloyl]oxyoctyl ester Formula: C28H44O6 MolecularWeight: 476.64536

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C=CC(=O)OCCCCCCCCOC(=O)C(C)(C)CC)OCC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)/C=C/C(=O)OCCCCCCCCOC(=O)C(C)(C)CC)OCC

InChI

InChI=1S/C28H44O6/c1-6-19-32-25-22-23(15-17-24(25)31-8-3)16-18-26(29)33-20-13-11-9-10-12-14-21-34-27(30)28(4,5)7-2/h15-18,22H,6-14,19-21H2,1-5H3/b18-16+