2,6-dimethyl-4-(2-propylsulfinylphenyl)pyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-dimethyl-4-(2-propylsulfinylphenyl)pyridine-3,5-dicarboxylic acid Openeye Name: 2,6-dimethyl-4-(2-propylsulfinylphenyl)pyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-(2-propylsulfinylphenyl)pyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-(2-propylsulfinylphenyl)pyridine-3,5-dicarboxylic acid Traditional Name: 2,6-dimethyl-4-(2-propylsulfinylphenyl)dinicotinic acid Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)C1=CC=CC=C1C2=C(C(=NC(=C2C(=O)O)C)C)C(=O)O

Isomeric SMILES

CCCS(=O)C1=CC=CC=C1C2=C(C(=NC(=C2C(=O)O)C)C)C(=O)O

InChI

InChI=1S/C18H19NO5S/c1-4-9-25(24)13-8-6-5-7-12(13)16-14(17(20)21)10(2)19-11(3)15(16)18(22)23/h5-8H,4,9H2,1-3H3,(H,20,21)(H,22,23)