(E)-but-2-enedioic acid; 3-(4-methylphenyl)sulfanylpyrrolidine

Systemtic Name: (E)-but-2-enedioic acid; 3-(4-methylphenyl)sulfanylpyrrolidine Openeye Name: fumaric acid; 3-(p-tolylsulfanyl)pyrrolidine CAS Name: (E)-2-butenedioic acid; 3-[(4-methylphenyl)thio]pyrrolidine IUPAC Name: (E)-but-2-enedioic acid; 3-(4-methylphenyl)sulfanylpyrrolidine Traditional Name: fumaric acid; 3-(p-tolylthio)pyrrolidine Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2CCNC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2CCNC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H15NS.C4H4O4/c1-9-2-4-10(5-3-9)13-11-6-7-12-8-11;5-3(6)1-2-4(7)8/h2-5,11-12H,6-8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+