sodium (2S)-2-[12-ethyl-8-(hydroxymethyl)-2-oxidanyl-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxidanyl-butanoate

Systemtic Name: sodium (2S)-2-[12-ethyl-8-(hydroxymethyl)-2-oxidanyl-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxidanyl-butanoate Openeye Name: sodium (2S)-2-[12-ethyl-2-hydroxy-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxy-butanoate CAS Name: sodium (2S)-2-[12-ethyl-2-hydroxy-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoate IUPAC Name: sodium (2S)-2-[12-ethyl-2-hydroxy-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoate Traditional Name: sodium (2S)-2-(12-ethyl-2-hydroxy-9-keto-8-methylol-11H-indolizino[1,2-b]quinolin-7-yl)-2-hydroxy-butyrate Formula: C22H21N2NaO6 MolecularWeight: 432.40171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC(=C(C4=O)CO)C(CC)(C(=O)[O-])O)O.[Na+]

Isomeric SMILES

CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC(=C(C4=O)CO)[C@@](CC)(C(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C22H22N2O6.Na/c1-3-12-13-7-11(26)5-6-17(13)23-19-14(12)9-24-18(19)8-16(15(10-25)20(24)27)22(30,4-2)21(28)29;/h5-8,25-26,30H,3-4,9-10H2,1-2H3,(H,28,29);/q;+1/p-1/t22-;/m0./s1