2,3-bis(bromanyl)-3-[2-(2-bromanyldibenzothiophen-1-yl)-4-phenoxy-phenyl]propanoic acid

Systemtic Name: 2,3-bis(bromanyl)-3-[2-(2-bromanyldibenzothiophen-1-yl)-4-phenoxy-phenyl]propanoic acid Openeye Name: 2,3-dibromo-3-[2-(2-bromodibenzothiophen-1-yl)-4-phenoxy-phenyl]propanoic acid CAS Name: 2,3-dibromo-3-[2-(2-bromo-1-dibenzothiophenyl)-4-phenoxyphenyl]propanoic acid IUPAC Name: 2,3-dibromo-3-[2-(2-bromodibenzothiophen-1-yl)-4-phenoxyphenyl]propanoic acid Traditional Name: 2,3-dibromo-3-[2-(2-bromodibenzothiophen-1-yl)-4-phenoxy-phenyl]propionic acid Formula: C27H17Br3O3S MolecularWeight: 661.19908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC(=C(C=C2)C(C(C(=O)O)Br)Br)C3=C(C=CC4=C3C5=CC=CC=C5S4)Br

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC(=C(C=C2)C(C(C(=O)O)Br)Br)C3=C(C=CC4=C3C5=CC=CC=C5S4)Br

InChI

InChI=1S/C27H17Br3O3S/c28-20-12-13-22-24(18-8-4-5-9-21(18)34-22)23(20)19-14-16(33-15-6-2-1-3-7-15)10-11-17(19)25(29)26(30)27(31)32/h1-14,25-26H,(H,31,32)