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

Systemtic Name: sodium 2,4,5,7-tetrakis(bromanyl)-9-(2-methoxycarbonylphenyl)-6-oxidanylidene-xanthen-3-olate Openeye Name: sodium 2,4,5,7-tetrabromo-9-(2-methoxycarbonylphenyl)-6-oxo-xanthen-3-olate CAS Name: sodium 2,4,5,7-tetrabromo-9-(2-methoxycarbonylphenyl)-6-oxo-3-xanthenolate IUPAC Name: sodium 2,4,5,7-tetrabromo-9-(2-methoxycarbonylphenyl)-6-oxoxanthen-3-olate Traditional Name: sodium 2,4,5,7-tetrabromo-9-(2-carbomethoxyphenyl)-6-keto-xanthen-3-olate Formula: C21H9Br4NaO5 MolecularWeight: 683.89893

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=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/C21H10Br4O5.Na/c1-29-21(28)9-5-3-2-4-8(9)14-10-6-12(22)17(26)15(24)19(10)30-20-11(14)7-13(23)18(27)16(20)25;/h2-7,26H,1H3;/q;+1/p-1