4-[(Z)-(4,6-dimethoxy-3-oxidanylidene-1-benzofuran-2-ylidene)methyl]benzene-1,3-disulfonic acid

Systemtic Name: 4-[(Z)-(4,6-dimethoxy-3-oxidanylidene-1-benzofuran-2-ylidene)methyl]benzene-1,3-disulfonic acid Openeye Name: 4-[(Z)-(4,6-dimethoxy-3-oxo-benzofuran-2-ylidene)methyl]benzene-1,3-disulfonic acid CAS Name: 4-[(Z)-(4,6-dimethoxy-3-oxo-2-benzofuranylidene)methyl]benzene-1,3-disulfonic acid IUPAC Name: 4-[(Z)-(4,6-dimethoxy-3-oxo-1-benzofuran-2-ylidene)methyl]benzene-1,3-disulfonic acid Traditional Name: 4-[(Z)-(3-keto-4,6-dimethoxy-coumaran-2-ylidene)methyl]benzene-1,3-disulfonic acid Formula: C17H14O10S2 MolecularWeight: 442.41706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)OC(=CC3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)C2=O)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)O/C(=C\C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)/C2=O)OC

InChI

InChI=1S/C17H14O10S2/c1-25-10-6-12(26-2)16-13(7-10)27-14(17(16)18)5-9-3-4-11(28(19,20)21)8-15(9)29(22,23)24/h3-8H,1-2H3,(H,19,20,21)(H,22,23,24)/b14-5-