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

Systemtic Name: (2R)-3-ethanoyl-1-[(2S)-2-ethylhexyl]-2-(4-hydroxyphenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2R)-3-acetyl-1-[(2S)-2-ethylhexyl]-2-(4-hydroxyphenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2R)-3-acetyl-1-[(2S)-2-ethylhexyl]-2-(4-hydroxyphenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2R)-3-acetyl-1-[(2S)-2-ethylhexyl]-2-(4-hydroxyphenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5R)-4-acetyl-1-[(2S)-2-ethylhexyl]-5-(4-hydroxyphenyl)-2-keto-3-pyrrolin-3-olate Formula: C20H26NO4- MolecularWeight: 344.42474

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO4/c1-4-6-7-14(5-2)12-21-18(15-8-10-16(23)11-9-15)17(13(3)22)19(24)20(21)25/h8-11,14,18,23-24H,4-7,12H2,1-3H3/p-1/t14-,18+/m0/s1