5-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]furan-2-sulfonate

Systemtic Name: 5-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]furan-2-sulfonate Openeye Name: 5-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]furan-2-sulfonate CAS Name: 5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-furansulfonate IUPAC Name: 5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-sulfonate Traditional Name: 5-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methyl]furan-2-sulfonate Formula: C9H5N2O7S- MolecularWeight: 285.2102

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)S(=O)(=O)[O-])C=C2C(=O)NC(=O)NC2=O

Isomeric SMILES

C1=C(OC(=C1)S(=O)(=O)[O-])C=C2C(=O)NC(=O)NC2=O

InChI

InChI=1S/C9H6N2O7S/c12-7-5(8(13)11-9(14)10-7)3-4-1-2-6(18-4)19(15,16)17/h1-3H,(H,15,16,17)(H2,10,11,12,13,14)/p-1