1,3-benzodioxol-5-yl 1,3-dimethyl-2,4-bis(oxidanylidene)pyrimidine-5-sulfonate

Systemtic Name: 1,3-benzodioxol-5-yl 1,3-dimethyl-2,4-bis(oxidanylidene)pyrimidine-5-sulfonate Openeye Name: 1,3-benzodioxol-5-yl 1,3-dimethyl-2,4-dioxo-pyrimidine-5-sulfonate CAS Name: 1,3-dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate Traditional Name: 2,4-diketo-1,3-dimethyl-pyrimidine-5-sulfonic acid 1,3-benzodioxol-5-yl ester Formula: C13H12N2O7S MolecularWeight: 340.30858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H12N2O7S/c1-14-6-11(12(16)15(2)13(14)17)23(18,19)22-8-3-4-9-10(5-8)21-7-20-9/h3-6H,7H2,1-2H3