sodium 3-(6-chloranyl-2-methyl-quinolin-4-yl)sulfanylpropanoate

Systemtic Name: sodium 3-(6-chloranyl-2-methyl-quinolin-4-yl)sulfanylpropanoate Openeye Name: sodium 3-[(6-chloro-2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: sodium 3-[(6-chloro-2-methyl-4-quinolinyl)thio]propanoate IUPAC Name: sodium 3-(6-chloro-2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: sodium 3-[(6-chloro-2-methyl-4-quinolyl)thio]propionate Formula: C13H11ClNNaO2S MolecularWeight: 303.73971

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Cl)C(=C1)SCCC(=O)[O-].[Na+]

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Cl)C(=C1)SCCC(=O)[O-].[Na+]

InChI

InChI=1S/C13H12ClNO2S.Na/c1-8-6-12(18-5-4-13(16)17)10-7-9(14)2-3-11(10)15-8;/h2-3,6-7H,4-5H2,1H3,(H,16,17);/q;+1/p-1