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

Systemtic Name: 7-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid Openeye Name: 7-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-chromene-2-carboxylic acid CAS Name: 7-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid Traditional Name: 7-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-keto-8-propyl-chromene-2-carboxylic acid Formula: C27H30O9 MolecularWeight: 498.5217

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)O)OCC(C)(O)OC3=C(C(=C(C=C3)C(=O)C)O)CCC

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)O)OCC(C)(O)OC3=C(C(=C(C=C3)C(=O)C)O)CCC

InChI

InChI=1S/C27H30O9/c1-5-7-18-22(12-9-16(15(3)28)24(18)30)36-27(4,33)14-34-21-11-10-17-20(29)13-23(26(31)32)35-25(17)19(21)8-6-2/h9-13,30,33H,5-8,14H2,1-4H3,(H,31,32)