(E)-but-2-enedioic acid; 3-(phenylsulfonyl)pyrrolidine

Systemtic Name: (E)-but-2-enedioic acid; 3-(phenylsulfonyl)pyrrolidine Openeye Name: 3-(benzenesulfonyl)pyrrolidine; fumaric acid CAS Name: 3-(benzenesulfonyl)pyrrolidine; (E)-2-butenedioic acid IUPAC Name: 3-(benzenesulfonyl)pyrrolidine; (E)-but-2-enedioic acid Traditional Name: 3-besylpyrrolidine; fumaric acid Formula: C14H17NO6S MolecularWeight: 327.35288

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1S(=O)(=O)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCC1S(=O)(=O)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H13NO2S.C4H4O4/c12-14(13,10-6-7-11-8-10)9-4-2-1-3-5-9;5-3(6)1-2-4(7)8/h1-5,10-11H,6-8H2;1-2H,(H,5,6)(H,7,8)/b;2-1+