sodium 7-[3-(2-ethanoyl-3-oxidanyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: sodium 7-[3-(2-ethanoyl-3-oxidanyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: sodium 7-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxy-propoxy]-4-oxo-1H-quinoline-2-carboxylate CAS Name: sodium 7-[3-(2-acetyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-4-oxo-1H-quinoline-2-carboxylate IUPAC Name: sodium 7-[3-(2-acetyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-4-oxo-1H-quinoline-2-carboxylate Traditional Name: sodium 7-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxy-propoxy]-4-keto-1H-quinoline-2-carboxylate Formula: C21H18NNaO8 MolecularWeight: 435.35929

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC=C1OCC(COC2=CC3=C(C=C2)C(=O)C=C(N3)C(=O)[O-])O)O.[Na+]

Isomeric SMILES

CC(=O)C1=C(C=CC=C1OCC(COC2=CC3=C(C=C2)C(=O)C=C(N3)C(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C21H19NO8.Na/c1-11(23)20-17(25)3-2-4-19(20)30-10-12(24)9-29-13-5-6-14-15(7-13)22-16(21(27)28)8-18(14)26;/h2-8,12,24-25H,9-10H2,1H3,(H,22,26)(H,27,28);/q;+1/p-1