4-[[6-chloranyl-2-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[6-chloranyl-2-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoic acid Openeye Name: 4-[[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-chromen-3-yl]oxymethyl]benzoic acid CAS Name: 4-[[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-benzopyran-3-yl]oxymethyl]benzoic acid IUPAC Name: 4-[[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxochromen-3-yl]oxymethyl]benzoic acid Traditional Name: 4-[[6-chloro-2-(3,4-dimethoxyphenyl)-4-keto-chromen-3-yl]oxymethyl]benzoic acid Formula: C25H19ClO7 MolecularWeight: 466.86716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC4=CC=C(C=C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC4=CC=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C25H19ClO7/c1-30-20-9-7-16(11-21(20)31-2)23-24(22(27)18-12-17(26)8-10-19(18)33-23)32-13-14-3-5-15(6-4-14)25(28)29/h3-12H,13H2,1-2H3,(H,28,29)