1,2,6-trimethyl-4-(4-sulfanylphenyl)-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 1,2,6-trimethyl-4-(4-sulfanylphenyl)-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 1,2,6-trimethyl-4-(4-sulfanylphenyl)-4H-pyridine-3,5-dicarboxylic acid CAS Name: 4-(4-mercaptophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 1,2,6-trimethyl-4-(4-sulfanylphenyl)-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 4-(4-mercaptophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1C)C)C(=O)O)C2=CC=C(C=C2)S)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1C)C)C(=O)O)C2=CC=C(C=C2)S)C(=O)O

InChI

InChI=1S/C16H17NO4S/c1-8-12(15(18)19)14(10-4-6-11(22)7-5-10)13(16(20)21)9(2)17(8)3/h4-7,14,22H,1-3H3,(H,18,19)(H,20,21)