5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-benzenesulfonic acid; sodium

Systemtic Name: 5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-benzenesulfonic acid; sodium Openeye Name: 5-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-benzenesulfonic acid; sodium CAS Name: 5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxybenzenesulfonic acid; sodium IUPAC Name: 5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxybenzenesulfonic acid; sodium Traditional Name: 5-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-besylic acid; sodium Formula: C12H10N2NaO6S2 MolecularWeight: 365.33737

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)S(=O)(=O)O.[Na]

Isomeric SMILES

COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)S(=O)(=O)O.[Na]

InChI

InChI=1S/C12H10N2O6S2.Na/c1-20-8-3-2-6(5-9(8)22(17,18)19)4-7-10(15)13-12(21)14-11(7)16;/h2-5H,1H3,(H,17,18,19)(H2,13,14,15,16,21);