3-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-1-oxidanyl-xanthen-9-one

Systemtic Name: 3-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-1-oxidanyl-xanthen-9-one Openeye Name: 3-[2-(4-bromophenyl)-2-oxo-ethoxy]-1-hydroxy-xanthen-9-one CAS Name: 3-[2-(4-bromophenyl)-2-oxoethoxy]-1-hydroxy-9-xanthenone IUPAC Name: 3-[2-(4-bromophenyl)-2-oxoethoxy]-1-hydroxyxanthen-9-one Traditional Name: 3-[2-(4-bromophenyl)-2-keto-ethoxy]-1-hydroxy-xanthone Formula: C21H13BrO5 MolecularWeight: 425.22892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C=C3O2)OCC(=O)C4=CC=C(C=C4)Br)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C=C3O2)OCC(=O)C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C21H13BrO5/c22-13-7-5-12(6-8-13)17(24)11-26-14-9-16(23)20-19(10-14)27-18-4-2-1-3-15(18)21(20)25/h1-10,23H,11H2