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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C3C(=O)NC(=S)NC3=O

InChI

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