[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenyl] benzenesulfonate

Systemtic Name: [4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenyl] benzenesulfonate Openeye Name: [4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C18H14N2O6S2 MolecularWeight: 418.44356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H14N2O6S2/c1-25-15-10-11(9-13-16(21)19-18(27)20-17(13)22)7-8-14(15)26-28(23,24)12-5-3-2-4-6-12/h2-10H,1H3,(H2,19,20,21,22,27)