6-[(4-chlorophenyl)-oxidanyl-methyl]-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 6-[(4-chlorophenyl)-oxidanyl-methyl]-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 6-[(4-chlorophenyl)-hydroxy-methyl]-9-oxo-xanthene-2-carboxylic acid CAS Name: 6-[(4-chlorophenyl)-hydroxymethyl]-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 6-[(4-chlorophenyl)-hydroxymethyl]-9-oxoxanthene-2-carboxylic acid Traditional Name: 6-[(4-chlorophenyl)-hydroxy-methyl]-9-keto-xanthene-2-carboxylic acid Formula: C21H13ClO5 MolecularWeight: 380.77792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C2=CC3=C(C=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(C2=CC3=C(C=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)O)O)Cl

InChI

InChI=1S/C21H13ClO5/c22-14-5-1-11(2-6-14)19(23)12-3-7-15-18(10-12)27-17-8-4-13(21(25)26)9-16(17)20(15)24/h1-10,19,23H,(H,25,26)