(5R,6R)-2-butanoyl-6-ethoxycarbonyl-5-[(2R)-2-ethylsulfanylpropyl]-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: (5R,6R)-2-butanoyl-6-ethoxycarbonyl-5-[(2R)-2-ethylsulfanylpropyl]-3-oxidanylidene-cyclohexen-1-olate Openeye Name: (5R,6R)-2-butanoyl-6-ethoxycarbonyl-5-[(2R)-2-ethylsulfanylpropyl]-3-oxo-cyclohexen-1-olate CAS Name: (5R,6R)-6-ethoxycarbonyl-5-[(2R)-2-(ethylthio)propyl]-3-oxo-2-(1-oxobutyl)-1-cyclohexenolate IUPAC Name: (5R,6R)-2-butanoyl-6-ethoxycarbonyl-5-[(2R)-2-ethylsulfanylpropyl]-3-oxocyclohexen-1-olate Traditional Name: (5R,6R)-2-butyryl-6-carbethoxy-5-[(2R)-2-(ethylthio)propyl]-3-keto-cyclohexen-1-olate Formula: C18H27O5S- MolecularWeight: 355.46898

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(C(CC1=O)CC(C)SCC)C(=O)OCC)[O-]

Isomeric SMILES

CCCC(=O)C1=C([C@@H]([C@H](CC1=O)C[C@@H](C)SCC)C(=O)OCC)[O-]

InChI

InChI=1S/C18H28O5S/c1-5-8-13(19)16-14(20)10-12(9-11(4)24-7-3)15(17(16)21)18(22)23-6-2/h11-12,15,21H,5-10H2,1-4H3/p-1/t11-,12+,15-/m1/s1