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

Systemtic Name: 7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid Openeye Name: 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]-4-oxo-8-propyl-chromene-2-carboxylic acid CAS Name: 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]-4-oxo-8-propylchromene-2-carboxylic acid Traditional Name: 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]-4-keto-8-propyl-chromene-2-carboxylic acid Formula: C27H30O8 MolecularWeight: 482.5223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30O8/c1-4-6-19-16(8-9-20-22(30)13-24(27(32)33)35-26(19)20)12-17(29)14-34-23-11-10-18(15(3)28)25(31)21(23)7-5-2/h8-11,13,17,29,31H,4-7,12,14H2,1-3H3,(H,32,33)