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

Systemtic Name: (2R)-3-ethanoyl-1-[(2S)-2-ethylhexyl]-2-(4-ethylphenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2R)-3-acetyl-1-[(2S)-2-ethylhexyl]-2-(4-ethylphenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2R)-3-acetyl-1-[(2S)-2-ethylhexyl]-2-(4-ethylphenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2R)-3-acetyl-1-[(2S)-2-ethylhexyl]-2-(4-ethylphenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5R)-4-acetyl-1-[(2S)-2-ethylhexyl]-5-(4-ethylphenyl)-2-keto-3-pyrrolin-3-olate Formula: C22H30NO3- MolecularWeight: 356.4785

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO3/c1-5-8-9-17(7-3)14-23-20(18-12-10-16(6-2)11-13-18)19(15(4)24)21(25)22(23)26/h10-13,17,20,25H,5-9,14H2,1-4H3/p-1/t17-,20+/m0/s1