ethanedioic acid; phenyl 2-pyrrolidin-1-ylethanesulfonate

Systemtic Name: ethanedioic acid; phenyl 2-pyrrolidin-1-ylethanesulfonate Openeye Name: oxalic acid; phenyl 2-pyrrolidin-1-ylethanesulfonate CAS Name: oxalic acid; 2-(1-pyrrolidinyl)ethanesulfonic acid phenyl ester IUPAC Name: oxalic acid; phenyl 2-pyrrolidin-1-ylethanesulfonate Traditional Name: oxalic acid; 2-pyrrolidinoethanesulfonic acid phenyl ester Formula: C14H19NO7S MolecularWeight: 345.36816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCS(=O)(=O)OC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CCS(=O)(=O)OC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H17NO3S.C2H2O4/c14-17(15,11-10-13-8-4-5-9-13)16-12-6-2-1-3-7-12;3-1(4)2(5)6/h1-3,6-7H,4-5,8-11H2;(H,3,4)(H,5,6)