5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-sulfonic acid

Systemtic Name: 5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-sulfonic acid Openeye Name: 5-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]furan-2-sulfonic acid CAS Name: 5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-furansulfonic acid IUPAC Name: 5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-sulfonic acid Traditional Name: 5-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]furan-2-sulfonic acid Formula: C9H6N2O6S2 MolecularWeight: 302.28374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O6S2/c12-7-5(8(13)11-9(18)10-7)3-4-1-2-6(17-4)19(14,15)16/h1-3H,(H,14,15,16)(H2,10,11,12,13,18)