dimethyl-[4-[2-(phenylmethoxycarbonylamino)propanoyloxy]phenyl]sulfanium; methyl sulfate

Systemtic Name: dimethyl-[4-[2-(phenylmethoxycarbonylamino)propanoyloxy]phenyl]sulfanium; methyl sulfate Openeye Name: [4-[2-(benzyloxycarbonylamino)propanoyloxy]phenyl]-dimethyl-sulfonium; methyl sulfate CAS Name: dimethyl-[4-[1-oxo-2-(phenylmethoxycarbonylamino)propoxy]phenyl]sulfonium; methyl sulfate IUPAC Name: dimethyl-[4-[2-(phenylmethoxycarbonylamino)propanoyloxy]phenyl]sulfanium; methyl sulfate Traditional Name: [4-[2-(benzyloxycarbonylamino)propanoyloxy]phenyl]-dimethyl-sulfonium; methyl sulfate Formula: C20H25NO8S2 MolecularWeight: 471.5444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=C(C=C1)[S+](C)C)NC(=O)OCC2=CC=CC=C2.COS(=O)(=O)[O-]

Isomeric SMILES

CC(C(=O)OC1=CC=C(C=C1)[S+](C)C)NC(=O)OCC2=CC=CC=C2.COS(=O)(=O)[O-]

InChI

InChI=1S/C19H21NO4S.CH4O4S/c1-14(20-19(22)23-13-15-7-5-4-6-8-15)18(21)24-16-9-11-17(12-10-16)25(2)3;1-5-6(2,3)4/h4-12,14H,13H2,1-3H3;1H3,(H,2,3,4)