[4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenyl] 3,4-dimethoxybenzenesulfonate

Systemtic Name: [4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenyl] 3,4-dimethoxybenzenesulfonate Openeye Name: [4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenyl] 3,4-dimethoxybenzenesulfonate CAS Name: 3,4-dimethoxybenzenesulfonic acid [4-[4-(4-methoxyphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenyl] 3,4-dimethoxybenzenesulfonate Traditional Name: 3,4-dimethoxybenzenesulfonic acid [4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenyl] ester Formula: C25H22N2O6S MolecularWeight: 478.51698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NC=C2)C3=CC=C(C=C3)OS(=O)(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NC=C2)C3=CC=C(C=C3)OS(=O)(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H22N2O6S/c1-30-19-8-4-17(5-9-19)22-14-15-26-25(27-22)18-6-10-20(11-7-18)33-34(28,29)21-12-13-23(31-2)24(16-21)32-3/h4-16H,1-3H3