2-methoxy-5-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]benzenesulfonic acid

Systemtic Name: 2-methoxy-5-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]benzenesulfonic acid Openeye Name: 2-methoxy-5-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]benzenesulfonic acid CAS Name: 2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzenesulfonic acid IUPAC Name: 2-methoxy-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzenesulfonic acid Traditional Name: 2-methoxy-5-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methyl]besylic acid Formula: C12H10N2O7S MolecularWeight: 326.282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)NC2=O)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)NC2=O)S(=O)(=O)O

InChI

InChI=1S/C12H10N2O7S/c1-21-8-3-2-6(5-9(8)22(18,19)20)4-7-10(15)13-12(17)14-11(7)16/h2-5H,1H3,(H,18,19,20)(H2,13,14,15,16,17)