2-oxidanylpropane-1,2,3-tricarboxylate; [2-prop-2-ynoxy-4-(pyrrolidin-1-ylmethyl)phenyl] methanesulfonate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; [2-prop-2-ynoxy-4-(pyrrolidin-1-ylmethyl)phenyl] methanesulfonate Openeye Name: [2-prop-2-ynoxy-4-(pyrrolidin-1-ylmethyl)phenyl] methanesulfonate citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; methanesulfonic acid [2-prop-2-ynoxy-4-(1-pyrrolidinylmethyl)phenyl] ester IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; [2-prop-2-ynoxy-4-(pyrrolidin-1-ylmethyl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-propargyloxy-4-(pyrrolidinomethyl)phenyl] ester citrate Formula: C21H24NO11S-3 MolecularWeight: 498.48036

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(C=C(C=C1)CN2CCCC2)OCC#C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CS(=O)(=O)OC1=C(C=C(C=C1)CN2CCCC2)OCC#C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C15H19NO4S.C6H8O7/c1-3-10-19-15-11-13(12-16-8-4-5-9-16)6-7-14(15)20-21(2,17)18;7-3(8)1-6(13,5(11)12)2-4(9)10/h1,6-7,11H,4-5,8-10,12H2,2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3