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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OS(=O)(=O)C2=CC=CC=C2)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

COC1=CC=CC(=C1OS(=O)(=O)C2=CC=CC=C2)C=C3C(=O)NC(=S)NC3=O

InChI

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