8-[(6-chloranyl-4-oxidanylidene-2-phenyl-chromen-3-yl)oxymethyl]-4H-1,3-benzodioxine-6-carboxylic acid

Systemtic Name: 8-[(6-chloranyl-4-oxidanylidene-2-phenyl-chromen-3-yl)oxymethyl]-4H-1,3-benzodioxine-6-carboxylic acid Openeye Name: 8-[(6-chloro-4-oxo-2-phenyl-chromen-3-yl)oxymethyl]-4H-1,3-benzodioxine-6-carboxylic acid CAS Name: 8-[(6-chloro-4-oxo-2-phenyl-1-benzopyran-3-yl)oxymethyl]-4H-1,3-benzodioxin-6-carboxylic acid IUPAC Name: 8-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-4H-1,3-benzodioxine-6-carboxylic acid Traditional Name: 8-[(6-chloro-4-keto-2-phenyl-chromen-3-yl)oxymethyl]-4H-1,3-benzodioxin-6-carboxylic acid Formula: C25H17ClO7 MolecularWeight: 464.85128

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)C(=O)O)COC3=C(OC4=C(C3=O)C=C(C=C4)Cl)C5=CC=CC=C5)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)C(=O)O)COC3=C(OC4=C(C3=O)C=C(C=C4)Cl)C5=CC=CC=C5)OCO1

InChI

InChI=1S/C25H17ClO7/c26-18-6-7-20-19(10-18)21(27)24(23(33-20)14-4-2-1-3-5-14)31-12-17-9-15(25(28)29)8-16-11-30-13-32-22(16)17/h1-10H,11-13H2,(H,28,29)