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

Systemtic Name: sodium 2,4,5,7-tetrakis(bromanyl)-9-(2-ethoxycarbonylphenyl)-6-oxidanylidene-xanthen-3-olate Openeye Name: sodium 2,4,5,7-tetrabromo-9-(2-ethoxycarbonylphenyl)-6-oxo-xanthen-3-olate CAS Name: sodium 2,4,5,7-tetrabromo-9-(2-ethoxycarbonylphenyl)-6-oxo-3-xanthenolate IUPAC Name: sodium 2,4,5,7-tetrabromo-9-(2-ethoxycarbonylphenyl)-6-oxoxanthen-3-olate Traditional Name: sodium 2,4,5,7-tetrabromo-9-(2-carbethoxyphenyl)-6-keto-xanthen-3-olate Formula: C22H11Br4NaO5 MolecularWeight: 697.92551

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br.[Na+]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br.[Na+]

InChI

InChI=1S/C22H12Br4O5.Na/c1-2-30-22(29)10-6-4-3-5-9(10)15-11-7-13(23)18(27)16(25)20(11)31-21-12(15)8-14(24)19(28)17(21)26;/h3-8,27H,2H2,1H3;/q;+1/p-1