4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]diazenyl]benzenesulfonic acid

Systemtic Name: 4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]diazenyl]benzenesulfonic acid Openeye Name: 4-(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-yl)azobenzenesulfonic acid CAS Name: 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)azo]benzenesulfonic acid IUPAC Name: 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)diazenyl]benzenesulfonic acid Traditional Name: 4-(4,6-diketo-2-thioxo-hexahydropyrimidin-5-yl)azobesylic acid Formula: C10H8N4O5S2 MolecularWeight: 328.32432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2C(=O)NC(=S)NC2=O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N=NC2C(=O)NC(=S)NC2=O)S(=O)(=O)O

InChI

InChI=1S/C10H8N4O5S2/c15-8-7(9(16)12-10(20)11-8)14-13-5-1-3-6(4-2-5)21(17,18)19/h1-4,7H,(H,17,18,19)(H2,11,12,15,16,20)