(4-phenylmethoxyphenyl) 1,3,4-trimethyl-2,6-bis(oxidanylidene)pyrimidine-5-sulfonate

Systemtic Name: (4-phenylmethoxyphenyl) 1,3,4-trimethyl-2,6-bis(oxidanylidene)pyrimidine-5-sulfonate Openeye Name: (4-benzyloxyphenyl) 1,3,4-trimethyl-2,6-dioxo-pyrimidine-5-sulfonate CAS Name: 1,3,4-trimethyl-2,6-dioxo-5-pyrimidinesulfonic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonate Traditional Name: 2,4-diketo-1,3,6-trimethyl-pyrimidine-5-sulfonic acid (4-benzoxyphenyl) ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)N1C)C)S(=O)(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(C(=O)N1C)C)S(=O)(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O6S/c1-14-18(19(23)22(3)20(24)21(14)2)29(25,26)28-17-11-9-16(10-12-17)27-13-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3