4-(bromomethyl)-2-[4-methoxy-3-(2-methylundecan-2-yl)phenyl]carbonyloxy-benzoic acid

Systemtic Name: 4-(bromomethyl)-2-[4-methoxy-3-(2-methylundecan-2-yl)phenyl]carbonyloxy-benzoic acid Openeye Name: 4-(bromomethyl)-2-[3-(1,1-dimethyldecyl)-4-methoxy-benzoyl]oxy-benzoic acid CAS Name: 4-(bromomethyl)-2-[[4-methoxy-3-(2-methylundecan-2-yl)phenyl]-oxomethoxy]benzoic acid IUPAC Name: 4-(bromomethyl)-2-[4-methoxy-3-(2-methylundecan-2-yl)benzoyl]oxybenzoic acid Traditional Name: 4-(bromomethyl)-2-[3-(1,1-dimethyldecyl)-4-methoxy-benzoyl]oxy-benzoic acid Formula: C28H37BrO5 MolecularWeight: 533.49438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37BrO5/c1-5-6-7-8-9-10-11-16-28(2,3)23-18-21(13-15-24(23)33-4)27(32)34-25-17-20(19-29)12-14-22(25)26(30)31/h12-15,17-18H,5-11,16,19H2,1-4H3,(H,30,31)