4-(bromomethyl)-3-(3-butyl-4-methoxy-phenyl)carbonyloxy-benzoic acid

Systemtic Name: 4-(bromomethyl)-3-(3-butyl-4-methoxy-phenyl)carbonyloxy-benzoic acid Openeye Name: 4-(bromomethyl)-3-(3-butyl-4-methoxy-benzoyl)oxy-benzoic acid CAS Name: 4-(bromomethyl)-3-[(3-butyl-4-methoxyphenyl)-oxomethoxy]benzoic acid IUPAC Name: 4-(bromomethyl)-3-(3-butyl-4-methoxybenzoyl)oxybenzoic acid Traditional Name: 4-(bromomethyl)-3-(3-butyl-4-methoxy-benzoyl)oxy-benzoic acid Formula: C20H21BrO5 MolecularWeight: 421.28174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)C(=O)OC2=C(C=CC(=C2)C(=O)O)CBr)OC

Isomeric SMILES

CCCCC1=C(C=CC(=C1)C(=O)OC2=C(C=CC(=C2)C(=O)O)CBr)OC

InChI

InChI=1S/C20H21BrO5/c1-3-4-5-13-10-15(8-9-17(13)25-2)20(24)26-18-11-14(19(22)23)6-7-16(18)12-21/h6-11H,3-5,12H2,1-2H3,(H,22,23)