ethyl 2-[2,4,5,7-tetrakis(bromanyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoate

Systemtic Name: ethyl 2-[2,4,5,7-tetrakis(bromanyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoate Openeye Name: ethyl 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-xanthen-9-yl)benzoate CAS Name: 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-9-xanthenyl)benzoic acid ethyl ester IUPAC Name: ethyl 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoate Traditional Name: 2-(2,4,5,7-tetrabromo-3-hydroxy-6-keto-xanthen-9-yl)benzoic acid ethyl ester Formula: C22H12Br4O5 MolecularWeight: 675.94368

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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

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)O)Br)Br)Br

InChI

InChI=1S/C22H12Br4O5/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