2,3,4,5-tetrakis(chloranyl)-6-[2,4,5,7-tetrakis(bromanyl)-3,6-bis(oxidanyl)-9H-xanthen-9-yl]benzoic acid

Systemtic Name: 2,3,4,5-tetrakis(chloranyl)-6-[2,4,5,7-tetrakis(bromanyl)-3,6-bis(oxidanyl)-9H-xanthen-9-yl]benzoic acid Openeye Name: 2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid CAS Name: 2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid IUPAC Name: 2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid Traditional Name: 2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid Formula: C20H6Br4Cl4O5 MolecularWeight: 787.68664

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(C3=CC(=C(C(=C3OC2=C(C(=C1Br)O)Br)Br)O)Br)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O

Isomeric SMILES

C1=C2C(C3=CC(=C(C(=C3OC2=C(C(=C1Br)O)Br)Br)O)Br)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O

InChI

InChI=1S/C20H6Br4Cl4O5/c21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29/h1-2,7,29-30H,(H,31,32)