3-phenylpropyl 3-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoyloxy]benzoate

Systemtic Name: 3-phenylpropyl 3-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoyloxy]benzoate Openeye Name: 3-phenylpropyl 3-[2-(2-bromo-4-ethyl-phenoxy)acetyl]oxybenzoate CAS Name: 3-[2-(2-bromo-4-ethylphenoxy)-1-oxoethoxy]benzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 3-[2-(2-bromo-4-ethylphenoxy)acetyl]oxybenzoate Traditional Name: 3-[2-(2-bromo-4-ethyl-phenoxy)acetyl]oxybenzoic acid 3-phenylpropyl ester Formula: C26H25BrO5 MolecularWeight: 497.3777

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)OC2=CC=CC(=C2)C(=O)OCCCC3=CC=CC=C3)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)OC2=CC=CC(=C2)C(=O)OCCCC3=CC=CC=C3)Br

InChI

InChI=1S/C26H25BrO5/c1-2-19-13-14-24(23(27)16-19)31-18-25(28)32-22-12-6-11-21(17-22)26(29)30-15-7-10-20-8-4-3-5-9-20/h3-6,8-9,11-14,16-17H,2,7,10,15,18H2,1H3