(3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethylidene]-2-oxidanylidene-4H-1,4-benzoxazine-6-sulfonic acid

Systemtic Name: (3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethylidene]-2-oxidanylidene-4H-1,4-benzoxazine-6-sulfonic acid Openeye Name: (3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxo-ethylidene]-2-oxo-4H-1,4-benzoxazine-6-sulfonic acid CAS Name: (3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-2-oxo-4H-1,4-benzoxazine-6-sulfonic acid IUPAC Name: (3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-2-oxo-4H-1,4-benzoxazine-6-sulfonic acid Traditional Name: (3E)-3-[2-(3,4-dimethoxyphenyl)-2-keto-ethylidene]-2-keto-4H-1,4-benzoxazine-6-sulfonic acid Formula: C18H15NO8S MolecularWeight: 405.3786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=C2C(=O)OC3=C(N2)C=C(C=C3)S(=O)(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/2\C(=O)OC3=C(N2)C=C(C=C3)S(=O)(=O)O)OC

InChI

InChI=1S/C18H15NO8S/c1-25-16-5-3-10(7-17(16)26-2)14(20)9-13-18(21)27-15-6-4-11(28(22,23)24)8-12(15)19-13/h3-9,19H,1-2H3,(H,22,23,24)/b13-9+