ethyl 6-bromanyl-2-(3,4-dimethoxyphenyl)carbonyl-hexanoate

Systemtic Name: ethyl 6-bromanyl-2-(3,4-dimethoxyphenyl)carbonyl-hexanoate Openeye Name: ethyl 6-bromo-2-(3,4-dimethoxybenzoyl)hexanoate CAS Name: 6-bromo-2-[(3,4-dimethoxyphenyl)-oxomethyl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-(3,4-dimethoxybenzoyl)hexanoate Traditional Name: 6-bromo-2-veratroyl-hexanoic acid ethyl ester Formula: C17H23BrO5 MolecularWeight: 387.26552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCBr)C(=O)C1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CCOC(=O)C(CCCCBr)C(=O)C1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C17H23BrO5/c1-4-23-17(20)13(7-5-6-10-18)16(19)12-8-9-14(21-2)15(11-12)22-3/h8-9,11,13H,4-7,10H2,1-3H3