sodium 2,4,5,7-tetrakis(bromanyl)-9-(2-carboxyphenyl)-6-oxidanylidene-xanthen-3-olate

Systemtic Name: sodium 2,4,5,7-tetrakis(bromanyl)-9-(2-carboxyphenyl)-6-oxidanylidene-xanthen-3-olate Openeye Name: sodium 2,4,5,7-tetrabromo-9-(2-carboxyphenyl)-6-oxo-xanthen-3-olate CAS Name: sodium 2,4,5,7-tetrabromo-9-(2-carboxyphenyl)-6-oxo-3-xanthenolate IUPAC Name: sodium 2,4,5,7-tetrabromo-9-(2-carboxyphenyl)-6-oxoxanthen-3-olate Traditional Name: sodium 2,4,5,7-tetrabromo-9-(2-carboxyphenyl)-6-keto-xanthen-3-olate Formula: C20H7Br4NaO5 MolecularWeight: 669.87235

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)O.[Na+]

InChI

InChI=1S/C20H8Br4O5.Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;/h1-6,25H,(H,27,28);/q;+1/p-1