methyl 2,3,4,5-tetrakis(bromanyl)-6-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoate

Systemtic Name: methyl 2,3,4,5-tetrakis(bromanyl)-6-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoate Openeye Name: methyl 2,3,4,5-tetrabromo-6-(3-hydroxy-6-oxo-xanthen-9-yl)benzoate CAS Name: 2,3,4,5-tetrabromo-6-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid methyl ester IUPAC Name: methyl 2,3,4,5-tetrabromo-6-(3-hydroxy-6-oxoxanthen-9-yl)benzoate Traditional Name: 2,3,4,5-tetrabromo-6-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid methyl ester Formula: C21H10Br4O5 MolecularWeight: 661.9171

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C(=C1Br)Br)Br)Br)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

Isomeric SMILES

COC(=O)C1=C(C(=C(C(=C1Br)Br)Br)Br)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

InChI

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