sodium; ethanol; 2-oxidanylidene-3-(3-oxidanylidene-1-phenyl-pentyl)chromen-4-olate

Systemtic Name: sodium; ethanol; 2-oxidanylidene-3-(3-oxidanylidene-1-phenyl-pentyl)chromen-4-olate Openeye Name: sodium; ethanol; 2-oxo-3-(3-oxo-1-phenyl-pentyl)chromen-4-olate CAS Name: sodium; ethanol; 2-oxo-3-(3-oxo-1-phenylpentyl)-1-benzopyran-4-olate IUPAC Name: sodium; ethanol; 2-oxo-3-(3-oxo-1-phenylpentyl)chromen-4-olate Traditional Name: sodium; ethanol; 2-keto-3-(3-keto-1-phenyl-pentyl)chromen-4-olate Formula: C22H23NaO5 MolecularWeight: 390.40479

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].CCO.[Na+]

Isomeric SMILES

CCC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].CCO.[Na+]

InChI

InChI=1S/C20H18O4.C2H6O.Na/c1-2-14(21)12-16(13-8-4-3-5-9-13)18-19(22)15-10-6-7-11-17(15)24-20(18)23;1-2-3;/h3-11,16,22H,2,12H2,1H3;3H,2H2,1H3;/q;;+1/p-1