3-oxidanylidene-2-[2-oxidanylidene-1-[5-oxidanyl-4-oxidanylidene-3-(2-sulfooxyphenyl)chromen-6-yl]oxy-ethoxy]propanoic acid

Systemtic Name: 3-oxidanylidene-2-[2-oxidanylidene-1-[5-oxidanyl-4-oxidanylidene-3-(2-sulfooxyphenyl)chromen-6-yl]oxy-ethoxy]propanoic acid Openeye Name: 2-[1-[5-hydroxy-4-oxo-3-(2-sulfooxyphenyl)chromen-6-yl]oxy-2-oxo-ethoxy]-3-oxo-propanoic acid CAS Name: 2-[1-[[5-hydroxy-4-oxo-3-(2-sulfooxyphenyl)-1-benzopyran-6-yl]oxy]-2-oxoethoxy]-3-oxopropanoic acid IUPAC Name: 2-[1-[5-hydroxy-4-oxo-3-(2-sulfooxyphenyl)chromen-6-yl]oxy-2-oxoethoxy]-3-oxopropanoic acid Traditional Name: 2-[1-[5-hydroxy-4-keto-3-(2-sulfoxyphenyl)chromen-6-yl]oxy-2-keto-ethoxy]-3-keto-propionic acid Formula: C20H14O13S MolecularWeight: 494.38236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=COC3=C(C2=O)C(=C(C=C3)OC(C=O)OC(C=O)C(=O)O)O)OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=COC3=C(C2=O)C(=C(C=C3)OC(C=O)OC(C=O)C(=O)O)O)OS(=O)(=O)O

InChI

InChI=1S/C20H14O13S/c21-7-15(20(25)26)32-16(8-22)31-14-6-5-13-17(19(14)24)18(23)11(9-30-13)10-3-1-2-4-12(10)33-34(27,28)29/h1-9,15-16,24H,(H,25,26)(H,27,28,29)