disodium (2S)-2-[8-(hydroxymethyl)-2-oxidanyl-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxidanyl-butanoate

Systemtic Name: disodium (2S)-2-[8-(hydroxymethyl)-2-oxidanyl-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxidanyl-butanoate Openeye Name: disodium (2S)-2-hydroxy-2-[2-hydroxy-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoate CAS Name: disodium (2S)-2-hydroxy-2-[2-hydroxy-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoate IUPAC Name: disodium (2S)-2-hydroxy-2-[2-hydroxy-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoate Traditional Name: disodium (2S)-2-hydroxy-2-(2-hydroxy-9-keto-8-methylol-11H-indolizino[1,2-b]quinolin-7-yl)butyrate Formula: C20H17N2Na2O6+ MolecularWeight: 427.33832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=O)N2CC3=C(C2=C1)N=C4C=CC(=CC4=C3)O)CO)(C(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

CC[C@](C1=C(C(=O)N2CC3=C(C2=C1)N=C4C=CC(=CC4=C3)O)CO)(C(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C20H18N2O6.2Na/c1-2-20(28,19(26)27)14-7-16-17-11(8-22(16)18(25)13(14)9-23)5-10-6-12(24)3-4-15(10)21-17;;/h3-7,23-24,28H,2,8-9H2,1H3,(H,26,27);;/q;2*+1/p-1/t20-;;/m0../s1