4,6-bis(1-methoxypropylsulfonyl)pyrimidine-2-carboxylic acid

Systemtic Name: 4,6-bis(1-methoxypropylsulfonyl)pyrimidine-2-carboxylic acid Openeye Name: 4,6-bis(1-methoxypropylsulfonyl)pyrimidine-2-carboxylic acid CAS Name: 4,6-bis(1-methoxypropylsulfonyl)-2-pyrimidinecarboxylic acid IUPAC Name: 4,6-bis(1-methoxypropylsulfonyl)pyrimidine-2-carboxylic acid Traditional Name: 4,6-bis(1-methoxypropylsulfonyl)pyrimidine-2-carboxylic acid Formula: C13H20N2O8S2 MolecularWeight: 396.4365

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC)S(=O)(=O)C1=CC(=NC(=N1)C(=O)O)S(=O)(=O)C(CC)OC

Isomeric SMILES

CCC(OC)S(=O)(=O)C1=CC(=NC(=N1)C(=O)O)S(=O)(=O)C(CC)OC

InChI

InChI=1S/C13H20N2O8S2/c1-5-10(22-3)24(18,19)8-7-9(15-12(14-8)13(16)17)25(20,21)11(6-2)23-4/h7,10-11H,5-6H2,1-4H3,(H,16,17)