[1-oxidanyl-4-[6-oxidanyl-5-(3-oxidanylidenebutanoyloxy)hex-1-en-3-yl]oxy-hex-5-en-2-yl] 3-oxidanylidenebutanoate

Systemtic Name: [1-oxidanyl-4-[6-oxidanyl-5-(3-oxidanylidenebutanoyloxy)hex-1-en-3-yl]oxy-hex-5-en-2-yl] 3-oxidanylidenebutanoate Openeye Name: [1-(hydroxymethyl)-3-[4-hydroxy-3-(3-oxobutanoyloxy)-1-vinyl-butoxy]pent-4-enyl] 3-oxobutanoate CAS Name: 3-oxobutanoic acid [4-[5-(1,3-dioxobutoxy)-6-hydroxyhex-1-en-3-yl]oxy-1-hydroxyhex-5-en-2-yl] ester IUPAC Name: [1-hydroxy-4-[6-hydroxy-5-(3-oxobutanoyloxy)hex-1-en-3-yl]oxyhex-5-en-2-yl] 3-oxobutanoate Traditional Name: 3-ketobutyric acid [3-[1-(2-acetoacetyloxy-3-hydroxy-propyl)allyloxy]-1-methylol-pent-4-enyl] ester Formula: C20H30O9 MolecularWeight: 414.4468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OC(CC(C=C)OC(CC(CO)OC(=O)CC(=O)C)C=C)CO

Isomeric SMILES

CC(=O)CC(=O)OC(CC(C=C)OC(CC(CO)OC(=O)CC(=O)C)C=C)CO

InChI

InChI=1S/C20H30O9/c1-5-15(9-17(11-21)28-19(25)7-13(3)23)27-16(6-2)10-18(12-22)29-20(26)8-14(4)24/h5-6,15-18,21-22H,1-2,7-12H2,3-4H3