3-[(5,6-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)oxy]-3-oxidanylidene-2-thiophen-3-yl-propanoic acid

Systemtic Name: 3-[(5,6-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)oxy]-3-oxidanylidene-2-thiophen-3-yl-propanoic acid Openeye Name: 3-[(5,6-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)oxy]-3-oxo-2-(3-thienyl)propanoic acid CAS Name: 3-[(5,6-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)oxy]-3-oxo-2-(3-thiophenyl)propanoic acid IUPAC Name: 3-[(5,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)oxy]-3-oxo-2-thiophen-3-ylpropanoic acid Traditional Name: 3-keto-3-(3-keto-5,6-dimethoxy-phthalan-1-yl)oxy-2-(3-thienyl)propionic acid Formula: C17H14O8S MolecularWeight: 378.35326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(OC2=O)OC(=O)C(C3=CSC=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(OC2=O)OC(=O)C(C3=CSC=C3)C(=O)O)OC

InChI

InChI=1S/C17H14O8S/c1-22-11-5-9-10(6-12(11)23-2)17(24-15(9)20)25-16(21)13(14(18)19)8-3-4-26-7-8/h3-7,13,17H,1-2H3,(H,18,19)