3-octadecoxybutyl 2-pyrimidin-2-yloxypropoxymethanesulfonate

Systemtic Name: 3-octadecoxybutyl 2-pyrimidin-2-yloxypropoxymethanesulfonate Openeye Name: 3-octadecoxybutyl 2-pyrimidin-2-yloxypropoxymethanesulfonate CAS Name: 2-(2-pyrimidinyloxy)propoxymethanesulfonic acid 3-octadecoxybutyl ester IUPAC Name: 3-octadecoxybutyl 2-pyrimidin-2-yloxypropoxymethanesulfonate Traditional Name: 2-(2-pyrimidyloxy)propoxymethanesulfonic acid 3-stearyloxybutyl ester Formula: C30H56N2O6S MolecularWeight: 572.84044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)CCOS(=O)(=O)COCC(C)OC1=NC=CC=N1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)CCOS(=O)(=O)COCC(C)OC1=NC=CC=N1

InChI

InChI=1S/C30H56N2O6S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-36-28(2)21-25-37-39(33,34)27-35-26-29(3)38-30-31-22-20-23-32-30/h20,22-23,28-29H,4-19,21,24-27H2,1-3H3