sodium 2-(2,6,7-trimethyl-4-oxidanylidene-1H-quinolin-3-yl)ethanoate dihydrate

Systemtic Name: sodium 2-(2,6,7-trimethyl-4-oxidanylidene-1H-quinolin-3-yl)ethanoate dihydrate Openeye Name: sodium 2-(2,6,7-trimethyl-4-oxo-1H-quinolin-3-yl)acetate dihydrate CAS Name: sodium 2-(2,6,7-trimethyl-4-oxo-1H-quinolin-3-yl)acetate dihydrate IUPAC Name: sodium 2-(2,6,7-trimethyl-4-oxo-1H-quinolin-3-yl)acetate dihydrate Traditional Name: sodium 2-(4-keto-2,6,7-trimethyl-1H-quinolin-3-yl)acetate dihydrate Formula: C14H18NNaO5 MolecularWeight: 303.28619

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(N2)C)CC(=O)[O-])C.O.O.[Na+]

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=C(N2)C)CC(=O)[O-])C.O.O.[Na+]

InChI

InChI=1S/C14H15NO3.Na.2H2O/c1-7-4-11-12(5-8(7)2)15-9(3)10(14(11)18)6-13(16)17;;;/h4-5H,6H2,1-3H3,(H,15,18)(H,16,17);;2*1H2/q;+1;;/p-1