2-methoxyphenol; 4-(2-methoxyphenoxy)-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-methoxyphenol; 4-(2-methoxyphenoxy)-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-methoxyphenol; 4-(2-methoxyphenoxy)-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-methoxyphenol; 4-(2-methoxyphenoxy)-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 2-methoxyphenol; 4-(2-methoxyphenoxy)-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: guaiacol; 4-(2-methoxyphenoxy)-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1O.COC1=CC=CC=C1OC2=NC(=NC=C2C(=O)O)SC

Isomeric SMILES

COC1=CC=CC=C1O.COC1=CC=CC=C1OC2=NC(=NC=C2C(=O)O)SC

InChI

InChI=1S/C13H12N2O4S.C7H8O2/c1-18-9-5-3-4-6-10(9)19-11-8(12(16)17)7-14-13(15-11)20-2;1-9-7-5-3-2-4-6(7)8/h3-7H,1-2H3,(H,16,17);2-5,8H,1H3