methyl 2,6-bis(hexylsulfonyl)pyrimidine-4-carboxylate

Systemtic Name: methyl 2,6-bis(hexylsulfonyl)pyrimidine-4-carboxylate Openeye Name: methyl 2,6-bis(hexylsulfonyl)pyrimidine-4-carboxylate CAS Name: 2,6-bis(hexylsulfonyl)-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2,6-bis(hexylsulfonyl)pyrimidine-4-carboxylate Traditional Name: 2,6-bis(hexylsulfonyl)pyrimidine-4-carboxylic acid methyl ester Formula: C18H30N2O6S2 MolecularWeight: 434.5706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=NC(=NC(=C1)C(=O)OC)S(=O)(=O)CCCCCC

Isomeric SMILES

CCCCCCS(=O)(=O)C1=NC(=NC(=C1)C(=O)OC)S(=O)(=O)CCCCCC

InChI

InChI=1S/C18H30N2O6S2/c1-4-6-8-10-12-27(22,23)16-14-15(17(21)26-3)19-18(20-16)28(24,25)13-11-9-7-5-2/h14H,4-13H2,1-3H3