5-[3-(2-carboxy-4-oxidanylidene-chromen-5-yl)oxy-2-sulfooxy-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 5-[3-(2-carboxy-4-oxidanylidene-chromen-5-yl)oxy-2-sulfooxy-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 5-[3-(2-carboxy-4-oxo-chromen-5-yl)oxy-2-sulfooxy-propoxy]-4-oxo-chromene-2-carboxylic acid CAS Name: 5-[3-[(2-carboxy-4-oxo-1-benzopyran-5-yl)oxy]-2-sulfooxypropoxy]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-sulfooxypropoxy]-4-oxochromene-2-carboxylic acid Traditional Name: 5-[3-(2-carboxy-4-keto-chromen-5-yl)oxy-2-sulfoxy-propoxy]-4-keto-chromene-2-carboxylic acid Formula: C23H16O14S MolecularWeight: 548.42974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)OS(=O)(=O)O)C(=O)C=C(O2)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)OS(=O)(=O)O)C(=O)C=C(O2)C(=O)O

InChI

InChI=1S/C23H16O14S/c24-12-7-18(22(26)27)35-16-5-1-3-14(20(12)16)33-9-11(37-38(30,31)32)10-34-15-4-2-6-17-21(15)13(25)8-19(36-17)23(28)29/h1-8,11H,9-10H2,(H,26,27)(H,28,29)(H,30,31,32)