3-[2-[4-(4-bromanyl-2-ethyl-5-phenylmethoxy-phenoxy)butoxy]phenyl]propanoate

Systemtic Name: 3-[2-[4-(4-bromanyl-2-ethyl-5-phenylmethoxy-phenoxy)butoxy]phenyl]propanoate Openeye Name: 3-[2-[4-(5-benzyloxy-4-bromo-2-ethyl-phenoxy)butoxy]phenyl]propanoate CAS Name: 3-[2-[4-(4-bromo-2-ethyl-5-phenylmethoxyphenoxy)butoxy]phenyl]propanoate IUPAC Name: 3-[2-[4-(4-bromo-2-ethyl-5-phenylmethoxyphenoxy)butoxy]phenyl]propanoate Traditional Name: 3-[2-[4-(5-benzoxy-4-bromo-2-ethyl-phenoxy)butoxy]phenyl]propionate Formula: C28H30BrO5- MolecularWeight: 526.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1OCCCCOC2=CC=CC=C2CCC(=O)[O-])OCC3=CC=CC=C3)Br

Isomeric SMILES

CCC1=CC(=C(C=C1OCCCCOC2=CC=CC=C2CCC(=O)[O-])OCC3=CC=CC=C3)Br

InChI

InChI=1S/C28H31BrO5/c1-2-22-18-24(29)27(34-20-21-10-4-3-5-11-21)19-26(22)33-17-9-8-16-32-25-13-7-6-12-23(25)14-15-28(30)31/h3-7,10-13,18-19H,2,8-9,14-17,20H2,1H3,(H,30,31)/p-1