[4-[2-(4-dodecoxyphenyl)pyrimidin-5-yl]-2,2-dimethyl-1,3-dioxolan-4-yl] hydrogen carbonate

Systemtic Name: [4-[2-(4-dodecoxyphenyl)pyrimidin-5-yl]-2,2-dimethyl-1,3-dioxolan-4-yl] hydrogen carbonate Openeye Name: [4-[2-(4-dodecoxyphenyl)pyrimidin-5-yl]-2,2-dimethyl-1,3-dioxolan-4-yl] hydrogen carbonate CAS Name: carbonic acid [4-[2-(4-dodecoxyphenyl)-5-pyrimidinyl]-2,2-dimethyl-1,3-dioxolan-4-yl] ester IUPAC Name: [4-[2-(4-dodecoxyphenyl)pyrimidin-5-yl]-2,2-dimethyl-1,3-dioxolan-4-yl] hydrogen carbonate Traditional Name: carbonic acid [4-[2-(4-lauryloxyphenyl)pyrimidin-5-yl]-2,2-dimethyl-1,3-dioxolan-4-yl] ester Formula: C28H40N2O6 MolecularWeight: 500.627

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3(COC(O3)(C)C)OC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3(COC(O3)(C)C)OC(=O)O

InChI

InChI=1S/C28H40N2O6/c1-4-5-6-7-8-9-10-11-12-13-18-33-24-16-14-22(15-17-24)25-29-19-23(20-30-25)28(35-26(31)32)21-34-27(2,3)36-28/h14-17,19-20H,4-13,18,21H2,1-3H3,(H,31,32)