4-ethylsulfonyl-2-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methylamino]phenolate

Systemtic Name: 4-ethylsulfonyl-2-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methylamino]phenolate Openeye Name: 4-ethylsulfonyl-2-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methylamino]phenolate CAS Name: 4-ethylsulfonyl-2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]phenolate IUPAC Name: 4-ethylsulfonyl-2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]phenolate Traditional Name: 4-esyl-2-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methylamino]phenolate Formula: C13H12N3O6S- MolecularWeight: 338.31588

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)[O-])NC=C2C(=O)NC(=O)NC2=O

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)[O-])NC=C2C(=O)NC(=O)NC2=O

InChI

InChI=1S/C13H13N3O6S/c1-2-23(21,22)7-3-4-10(17)9(5-7)14-6-8-11(18)15-13(20)16-12(8)19/h3-6,14,17H,2H2,1H3,(H2,15,16,18,19,20)/p-1