(E)-but-2-enedioic acid; hexanoyloxymethyl 1,2,3,6-tetrahydropyridine-4-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; hexanoyloxymethyl 1,2,3,6-tetrahydropyridine-4-carboxylate Openeye Name: fumaric acid; hexanoyloxymethyl 1,2,3,6-tetrahydropyridine-4-carboxylate CAS Name: (E)-2-butenedioic acid; 1,2,3,6-tetrahydropyridine-4-carboxylic acid 1-oxohexoxymethyl ester IUPAC Name: (E)-but-2-enedioic acid; hexanoyloxymethyl 1,2,3,6-tetrahydropyridine-4-carboxylate Traditional Name: fumaric acid; 1,2,3,6-tetrahydropyridine-4-carboxylic acid caproyloxymethyl ester Formula: C17H25NO8 MolecularWeight: 371.3823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCOC(=O)C1=CCNCC1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCC(=O)OCOC(=O)C1=CCNCC1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H21NO4.C4H4O4/c1-2-3-4-5-12(15)17-10-18-13(16)11-6-8-14-9-7-11;5-3(6)1-2-4(7)8/h6,14H,2-5,7-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+