3-[2-(3-oxidanidyl-3-oxidanylidene-propyl)-4-oxidanylidene-7-(3-phenoxypropoxy)-8-propyl-3H-chromen-2-yl]propanoate

Systemtic Name: 3-[2-(3-oxidanidyl-3-oxidanylidene-propyl)-4-oxidanylidene-7-(3-phenoxypropoxy)-8-propyl-3H-chromen-2-yl]propanoate Openeye Name: 3-[2-(3-oxido-3-oxo-propyl)-4-oxo-7-(3-phenoxypropoxy)-8-propyl-chroman-2-yl]propanoate CAS Name: 3-[2-(3-oxido-3-oxopropyl)-4-oxo-7-(3-phenoxypropoxy)-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl]propanoate IUPAC Name: 3-[2-(3-oxido-3-oxopropyl)-4-oxo-7-(3-phenoxypropoxy)-8-propyl-3H-chromen-2-yl]propanoate Traditional Name: 3-[4-keto-2-(3-keto-3-oxido-propyl)-7-(3-phenoxypropoxy)-8-propyl-chroman-2-yl]propionate Formula: C27H30O8-2 MolecularWeight: 482.5223

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(CC2=O)(CCC(=O)[O-])CCC(=O)[O-])OCCCOC3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(CC2=O)(CCC(=O)[O-])CCC(=O)[O-])OCCCOC3=CC=CC=C3

InChI

InChI=1S/C27H32O8/c1-2-7-21-23(34-17-6-16-33-19-8-4-3-5-9-19)11-10-20-22(28)18-27(35-26(20)21,14-12-24(29)30)15-13-25(31)32/h3-5,8-11H,2,6-7,12-18H2,1H3,(H,29,30)(H,31,32)/p-2