2-[4,5-bis(bromanyl)-3,6-bis(oxidanyl)-9H-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[4,5-bis(bromanyl)-3,6-bis(oxidanyl)-9H-xanthen-9-yl]benzoic acid Openeye Name: 2-(4,5-dibromo-3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid CAS Name: 2-(4,5-dibromo-3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid IUPAC Name: 2-(4,5-dibromo-3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid Traditional Name: 2-(4,5-dibromo-3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid Formula: C20H12Br2O5 MolecularWeight: 492.11428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2C3=C(C(=C(C=C3)O)Br)OC4=C2C=CC(=C4Br)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2C3=C(C(=C(C=C3)O)Br)OC4=C2C=CC(=C4Br)O)C(=O)O

InChI

InChI=1S/C20H12Br2O5/c21-16-13(23)7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(24)17(22)19(12)27-18(11)16/h1-8,15,23-24H,(H,25,26)