tert-butyl 2-[3-[4-(bromomethyl)-2,6-dimethoxy-phenyl]-5-decoxy-phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[3-[4-(bromomethyl)-2,6-dimethoxy-phenyl]-5-decoxy-phenoxy]ethanoate Openeye Name: tert-butyl 2-[3-[4-(bromomethyl)-2,6-dimethoxy-phenyl]-5-decoxy-phenoxy]acetate CAS Name: 2-[3-[4-(bromomethyl)-2,6-dimethoxyphenyl]-5-decoxyphenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[4-(bromomethyl)-2,6-dimethoxyphenyl]-5-decoxyphenoxy]acetate Traditional Name: 2-[3-[4-(bromomethyl)-2,6-dimethoxy-phenyl]-5-decoxy-phenoxy]acetic acid tert-butyl ester Formula: C31H45BrO6 MolecularWeight: 593.5894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=CC(=C1)OCC(=O)OC(C)(C)C)C2=C(C=C(C=C2OC)CBr)OC

Isomeric SMILES

CCCCCCCCCCOC1=CC(=CC(=C1)OCC(=O)OC(C)(C)C)C2=C(C=C(C=C2OC)CBr)OC

InChI

InChI=1S/C31H45BrO6/c1-7-8-9-10-11-12-13-14-15-36-25-18-24(19-26(20-25)37-22-29(33)38-31(2,3)4)30-27(34-5)16-23(21-32)17-28(30)35-6/h16-20H,7-15,21-22H2,1-6H3