4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)but-2-ynyl 3-(2-methyl-4-oxidanylidene-8-propyl-3H-chromen-2-yl)-2-oxidanylidene-propanoate

Systemtic Name: 4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)but-2-ynyl 3-(2-methyl-4-oxidanylidene-8-propyl-3H-chromen-2-yl)-2-oxidanylidene-propanoate Openeye Name: 4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)but-2-ynyl 3-(2-methyl-4-oxo-8-propyl-chroman-2-yl)-2-oxo-propanoate CAS Name: 3-(2-methyl-4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl)-2-oxopropanoic acid 4-(4-acetyl-3-hydroxy-2-propylphenoxy)but-2-ynyl ester IUPAC Name: 4-(4-acetyl-3-hydroxy-2-propylphenoxy)but-2-ynyl 3-(2-methyl-4-oxo-8-propyl-3H-chromen-2-yl)-2-oxopropanoate Traditional Name: 2-keto-3-(4-keto-2-methyl-8-propyl-chroman-2-yl)propionic acid 4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)but-2-ynyl ester Formula: C31H34O8 MolecularWeight: 534.59686

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC2=C1OC(CC2=O)(C)CC(=O)C(=O)OCC#CCOC3=C(C(=C(C=C3)C(=O)C)O)CCC

Isomeric SMILES

CCCC1=CC=CC2=C1OC(CC2=O)(C)CC(=O)C(=O)OCC#CCOC3=C(C(=C(C=C3)C(=O)C)O)CCC

InChI

InChI=1S/C31H34O8/c1-5-10-21-12-9-13-23-25(33)18-31(4,39-29(21)23)19-26(34)30(36)38-17-8-7-16-37-27-15-14-22(20(3)32)28(35)24(27)11-6-2/h9,12-15,35H,5-6,10-11,16-19H2,1-4H3