2,3-bis(bromanyl)-3-(2-dibenzothiophen-1-yl-4-phenoxy-phenyl)propanoic acid

Systemtic Name: 2,3-bis(bromanyl)-3-(2-dibenzothiophen-1-yl-4-phenoxy-phenyl)propanoic acid Openeye Name: 2,3-dibromo-3-(2-dibenzothiophen-1-yl-4-phenoxy-phenyl)propanoic acid CAS Name: 2,3-dibromo-3-[2-(1-dibenzothiophenyl)-4-phenoxyphenyl]propanoic acid IUPAC Name: 2,3-dibromo-3-(2-dibenzothiophen-1-yl-4-phenoxyphenyl)propanoic acid Traditional Name: 2,3-dibromo-3-(2-dibenzothiophen-1-yl-4-phenoxy-phenyl)propionic acid Formula: C27H18Br2O3S MolecularWeight: 582.30302

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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=C4C5=CC=CC=C5SC4=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC(=C(C=C2)C(C(C(=O)O)Br)Br)C3=C4C5=CC=CC=C5SC4=CC=C3

InChI

InChI=1S/C27H18Br2O3S/c28-25(26(29)27(30)31)19-14-13-17(32-16-7-2-1-3-8-16)15-21(19)18-10-6-12-23-24(18)20-9-4-5-11-22(20)33-23/h1-15,25-26H,(H,30,31)