5-(bromomethyl)-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 5-(bromomethyl)-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 5-(bromomethyl)-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 5-(bromomethyl)-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 5-(bromomethyl)-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 5-(bromomethyl)-2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C21H13BrO5 MolecularWeight: 425.22892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CBr)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

Isomeric SMILES

C1=CC(=C(C=C1CBr)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

InChI

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