sodium 2-[2,7-bis(chloranyl)-4,5-bis(iodanyl)-3,6-bis(oxidanyl)xanthen-10-ium-9-yl]-3,4,5,6-tetrakis(bromanyl)benzoic acid

Systemtic Name: sodium 2-[2,7-bis(chloranyl)-4,5-bis(iodanyl)-3,6-bis(oxidanyl)xanthen-10-ium-9-yl]-3,4,5,6-tetrakis(bromanyl)benzoic acid Openeye Name: sodium 2,3,4,5-tetrabromo-6-(2,7-dichloro-3,6-dihydroxy-4,5-diiodo-xanthen-10-ium-9-yl)benzoic acid CAS Name: sodium 2,3,4,5-tetrabromo-6-(2,7-dichloro-3,6-dihydroxy-4,5-diiodo-9-xanthen-10-iumyl)benzoic acid IUPAC Name: sodium 2,3,4,5-tetrabromo-6-(2,7-dichloro-3,6-dihydroxy-4,5-diiodoxanthen-10-ium-9-yl)benzoic acid Traditional Name: sodium 2,3,4,5-tetrabromo-6-(2,7-dichloro-3,6-dihydroxy-4,5-diiodo-xanthen-10-ium-9-yl)benzoic acid Formula: C20H5Br4Cl2I2NaO5+2 MolecularWeight: 992.57141

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C3C=C(C(=C(C3=[O+]C2=C(C(=C1Cl)O)I)I)O)Cl)C4=C(C(=C(C(=C4Br)Br)Br)Br)C(=O)O.[Na+]

Isomeric SMILES

C1=C2C(=C3C=C(C(=C(C3=[O+]C2=C(C(=C1Cl)O)I)I)O)Cl)C4=C(C(=C(C(=C4Br)Br)Br)Br)C(=O)O.[Na+]

InChI

InChI=1S/C20H4Br4Cl2I2O5.Na/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28;/h1-2H,(H2-,29,30,31,32);/q;+1/p+1