[2,7-bis(bromanyl)-9-(2-carboxyphenyl)-3-oxidanyl-6-oxidanylidene-xanthen-4-yl]mercury hydrate

Systemtic Name: [2,7-bis(bromanyl)-9-(2-carboxyphenyl)-3-oxidanyl-6-oxidanylidene-xanthen-4-yl]mercury hydrate Openeye Name: [2,7-dibromo-9-(2-carboxyphenyl)-3-hydroxy-6-oxo-xanthen-4-yl]mercury hydrate CAS Name: [2,7-dibromo-9-(2-carboxyphenyl)-3-hydroxy-6-oxo-4-xanthenyl]mercury hydrate IUPAC Name: [2,7-dibromo-9-(2-carboxyphenyl)-3-hydroxy-6-oxoxanthen-4-yl]mercury hydrate Traditional Name: [2,7-dibromo-9-(2-carboxyphenyl)-3-hydroxy-6-keto-xanthen-4-yl]mercury hydrate Formula: C20H11Br2HgO6 MolecularWeight: 707.69574

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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)[Hg])Br)C(=O)O.O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=C(C(=C(C=C24)Br)O)[Hg])Br)C(=O)O.O

InChI

InChI=1S/C20H9Br2O5.Hg.H2O/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26;;/h1-7,24H,(H,25,26);;1H2