9-(3-chloranyl-4,5-dimethoxy-phenyl)-2,6,7-tris(oxidanyl)xanthen-3-one

Systemtic Name: 9-(3-chloranyl-4,5-dimethoxy-phenyl)-2,6,7-tris(oxidanyl)xanthen-3-one Openeye Name: 9-(3-chloro-4,5-dimethoxy-phenyl)-2,6,7-trihydroxy-xanthen-3-one CAS Name: 9-(3-chloro-4,5-dimethoxyphenyl)-2,6,7-trihydroxy-3-xanthenone IUPAC Name: 9-(3-chloro-4,5-dimethoxyphenyl)-2,6,7-trihydroxyxanthen-3-one Traditional Name: 9-(3-chloro-4,5-dimethoxy-phenyl)-2,6,7-trihydroxy-fluorone Formula: C21H15ClO7 MolecularWeight: 414.7926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O)Cl)OC

InChI

InChI=1S/C21H15ClO7/c1-27-19-4-9(3-12(22)21(19)28-2)20-10-5-13(23)15(25)7-17(10)29-18-8-16(26)14(24)6-11(18)20/h3-8,23-25H,1-2H3