(E)-but-2-enedioic acid; [1-(diphenylmethyl)azetidin-3-yl] methanesulfonate

Systemtic Name: (E)-but-2-enedioic acid; [1-(diphenylmethyl)azetidin-3-yl] methanesulfonate Openeye Name: (1-benzhydrylazetidin-3-yl) methanesulfonate; fumaric acid CAS Name: (E)-2-butenedioic acid; methanesulfonic acid [1-(diphenylmethyl)-3-azetidinyl] ester IUPAC Name: (1-benzhydrylazetidin-3-yl) methanesulfonate; (E)-but-2-enedioic acid Traditional Name: fumaric acid; methanesulfonic acid (1-benzhydrylazetidin-3-yl) ester Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)OC1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H19NO3S.C4H4O4/c1-22(19,20)21-16-12-18(13-16)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15;5-3(6)1-2-4(7)8/h2-11,16-17H,12-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+