4-[3-(4-ethanoyl-3-methoxy-2-propyl-phenoxy)propoxy]but-2-ynyl 3-(2-methyl-4-oxidanylidene-8-propyl-3H-chromen-2-yl)-2-oxidanylidene-propanoate

Systemtic Name: 4-[3-(4-ethanoyl-3-methoxy-2-propyl-phenoxy)propoxy]but-2-ynyl 3-(2-methyl-4-oxidanylidene-8-propyl-3H-chromen-2-yl)-2-oxidanylidene-propanoate Openeye Name: 4-[3-(4-acetyl-3-methoxy-2-propyl-phenoxy)propoxy]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-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]but-2-ynyl ester IUPAC Name: 4-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]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-[3-(4-acetyl-3-methoxy-2-propyl-phenoxy)propoxy]but-2-ynyl ester Formula: C35H42O9 MolecularWeight: 606.70258

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC2=C1OC(CC2=O)(C)CC(=O)C(=O)OCC#CCOCCCOC3=C(C(=C(C=C3)C(=O)C)OC)CCC

Isomeric SMILES

CCCC1=CC=CC2=C1OC(CC2=O)(C)CC(=O)C(=O)OCC#CCOCCCOC3=C(C(=C(C=C3)C(=O)C)OC)CCC

InChI

InChI=1S/C35H42O9/c1-6-12-25-14-10-15-27-29(37)22-35(4,44-32(25)27)23-30(38)34(39)43-20-9-8-18-41-19-11-21-42-31-17-16-26(24(3)36)33(40-5)28(31)13-7-2/h10,14-17H,6-7,11-13,18-23H2,1-5H3