7-[3-(4-ethanoyl-6-iodanyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid

Systemtic Name: 7-[3-(4-ethanoyl-6-iodanyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid Openeye Name: 7-[3-(4-acetyl-3-hydroxy-6-iodo-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-chromene-2-carboxylic acid CAS Name: 7-[3-(4-acetyl-3-hydroxy-6-iodo-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-(4-acetyl-3-hydroxy-6-iodo-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid Traditional Name: 7-[3-(4-acetyl-3-hydroxy-6-iodo-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-keto-8-propyl-chromene-2-carboxylic acid Formula: C27H29IO9 MolecularWeight: 624.41823

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)O)OCC(COC3=C(C=C(C(=C3CCC)O)C(=O)C)I)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)O)OCC(COC3=C(C=C(C(=C3CCC)O)C(=O)C)I)O

InChI

InChI=1S/C27H29IO9/c1-4-6-17-22(9-8-16-21(31)11-23(27(33)34)37-25(16)17)35-12-15(30)13-36-26-18(7-5-2)24(32)19(14(3)29)10-20(26)28/h8-11,15,30,32H,4-7,12-13H2,1-3H3,(H,33,34)