methyl 3-butanoyl-6-(5-methoxy-5-oxidanylidene-pentyl)-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl 3-butanoyl-6-(5-methoxy-5-oxidanylidene-pentyl)-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: methyl 3-butanoyl-2-hydroxy-6-(5-methoxy-5-oxo-pentyl)-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: 2-hydroxy-6-(5-methoxy-5-oxopentyl)-4-oxo-3-(1-oxobutyl)-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-2-hydroxy-6-(5-methoxy-5-oxopentyl)-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: 3-butyryl-2-hydroxy-4-keto-6-(5-keto-5-methoxy-pentyl)cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C18H26O7 MolecularWeight: 354.39484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(C(CC1=O)CCCCC(=O)OC)C(=O)OC)O

Isomeric SMILES

CCCC(=O)C1=C(C(C(CC1=O)CCCCC(=O)OC)C(=O)OC)O

InChI

InChI=1S/C18H26O7/c1-4-7-12(19)16-13(20)10-11(8-5-6-9-14(21)24-2)15(17(16)22)18(23)25-3/h11,15,22H,4-10H2,1-3H3