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

Systemtic Name: 3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid Openeye Name: 3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-chromene-2-carboxylic acid CAS Name: 3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid IUPAC Name: 3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid Traditional Name: 3-[3-(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=CC=CC2=C1OC(=C(C2=O)OCC(COC3=C(C(=C(C=C3)C(=O)C)O)CCC)O)C(=O)O

Isomeric SMILES

CCCC1=CC=CC2=C1OC(=C(C2=O)OCC(COC3=C(C(=C(C=C3)C(=O)C)O)CCC)O)C(=O)O

InChI

InChI=1S/C27H30O9/c1-4-7-16-9-6-10-20-23(31)25(26(27(32)33)36-24(16)20)35-14-17(29)13-34-21-12-11-18(15(3)28)22(30)19(21)8-5-2/h6,9-12,17,29-30H,4-5,7-8,13-14H2,1-3H3,(H,32,33)