(2R)-2-(4-tert-butylphenyl)-3-ethanoyl-1-[(2S)-2-ethylhexyl]-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2R)-2-(4-tert-butylphenyl)-3-ethanoyl-1-[(2S)-2-ethylhexyl]-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2R)-3-acetyl-2-(4-tert-butylphenyl)-1-[(2S)-2-ethylhexyl]-5-oxo-2H-pyrrol-4-olate CAS Name: (2R)-3-acetyl-2-(4-tert-butylphenyl)-1-[(2S)-2-ethylhexyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2R)-3-acetyl-2-(4-tert-butylphenyl)-1-[(2S)-2-ethylhexyl]-5-oxo-2H-pyrrol-4-olate Traditional Name: (5R)-4-acetyl-5-(4-tert-butylphenyl)-1-[(2S)-2-ethylhexyl]-2-keto-3-pyrrolin-3-olate Formula: C24H34NO3- MolecularWeight: 384.53166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1C(C(=C(C1=O)[O-])C(=O)C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCC[C@H](CC)CN1[C@@H](C(=C(C1=O)[O-])C(=O)C)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H35NO3/c1-7-9-10-17(8-2)15-25-21(20(16(3)26)22(27)23(25)28)18-11-13-19(14-12-18)24(4,5)6/h11-14,17,21,27H,7-10,15H2,1-6H3/p-1/t17-,21+/m0/s1