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

Systemtic Name: 3-[[6-chloranyl-2-(furan-2-yl)-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoic acid Openeye Name: 3-[[6-chloro-2-(2-furyl)-4-oxo-chromen-3-yl]oxymethyl]benzoic acid CAS Name: 3-[[6-chloro-2-(2-furanyl)-4-oxo-1-benzopyran-3-yl]oxymethyl]benzoic acid IUPAC Name: 3-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]benzoic acid Traditional Name: 3-[[6-chloro-2-(2-furyl)-4-keto-chromen-3-yl]oxymethyl]benzoic acid Formula: C21H13ClO6 MolecularWeight: 396.77732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=C(OC3=C(C2=O)C=C(C=C3)Cl)C4=CC=CO4)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)COC2=C(OC3=C(C2=O)C=C(C=C3)Cl)C4=CC=CO4)C(=O)O

InChI

InChI=1S/C21H13ClO6/c22-14-6-7-16-15(10-14)18(23)20(19(28-16)17-5-2-8-26-17)27-11-12-3-1-4-13(9-12)21(24)25/h1-10H,11H2,(H,24,25)