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

Systemtic Name: 7-[3-(4-ethanoyl-3-oxidanyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-8-prop-2-enyl-chromene-2-carboxylic acid Openeye Name: 7-[3-(4-acetyl-3-hydroxy-phenoxy)-2-hydroxy-propoxy]-8-allyl-4-oxo-chromene-2-carboxylic acid CAS Name: 7-[3-(4-acetyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-4-oxo-8-prop-2-enyl-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-(4-acetyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-4-oxo-8-prop-2-enylchromene-2-carboxylic acid Traditional Name: 7-[3-(4-acetyl-3-hydroxy-phenoxy)-2-hydroxy-propoxy]-8-allyl-4-keto-chromene-2-carboxylic acid Formula: C24H22O9 MolecularWeight: 454.42608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCC(COC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)O)CC=C)O)O

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCC(COC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)O)CC=C)O)O

InChI

InChI=1S/C24H22O9/c1-3-4-18-21(8-7-17-20(28)10-22(24(29)30)33-23(17)18)32-12-14(26)11-31-15-5-6-16(13(2)25)19(27)9-15/h3,5-10,14,26-27H,1,4,11-12H2,2H3,(H,29,30)