[2-(methoxymethyl)pyrimidin-4-yl] 2,4,6-tri(propan-2-yl)benzenesulfonate

Systemtic Name: [2-(methoxymethyl)pyrimidin-4-yl] 2,4,6-tri(propan-2-yl)benzenesulfonate Openeye Name: [2-(methoxymethyl)pyrimidin-4-yl] 2,4,6-triisopropylbenzenesulfonate CAS Name: 2,4,6-tri(propan-2-yl)benzenesulfonic acid [2-(methoxymethyl)-4-pyrimidinyl] ester IUPAC Name: [2-(methoxymethyl)pyrimidin-4-yl] 2,4,6-tri(propan-2-yl)benzenesulfonate Traditional Name: 2,4,6-triisopropylbenzenesulfonic acid [2-(methoxymethyl)pyrimidin-4-yl] ester Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)OC2=NC(=NC=C2)COC)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)OC2=NC(=NC=C2)COC)C(C)C

InChI

InChI=1S/C21H30N2O4S/c1-13(2)16-10-17(14(3)4)21(18(11-16)15(5)6)28(24,25)27-20-8-9-22-19(23-20)12-26-7/h8-11,13-15H,12H2,1-7H3