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

Systemtic Name: 2-(2-chloranyl-5-methanoyl-6-oxidanyl-3-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 2-(2-chloro-5-formyl-6-hydroxy-3-oxo-xanthen-9-yl)benzoic acid CAS Name: 2-(2-chloro-5-formyl-6-hydroxy-3-oxo-9-xanthenyl)benzoic acid IUPAC Name: 2-(2-chloro-5-formyl-6-hydroxy-3-oxoxanthen-9-yl)benzoic acid Traditional Name: 2-(2-chloro-5-formyl-6-hydroxy-3-keto-xanthen-9-yl)benzoic acid Formula: C21H11ClO6 MolecularWeight: 394.76144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=C2C=CC(=C4C=O)O)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=C2C=CC(=C4C=O)O)Cl)C(=O)O

InChI

InChI=1S/C21H11ClO6/c22-15-7-13-18(8-17(15)25)28-20-12(5-6-16(24)14(20)9-23)19(13)10-3-1-2-4-11(10)21(26)27/h1-9,24H,(H,26,27)