(E)-but-2-enedioic acid; octan-3-yl octyl carbonate

Systemtic Name: (E)-but-2-enedioic acid; octan-3-yl octyl carbonate Openeye Name: 1-ethylhexyl octyl carbonate; fumaric acid CAS Name: (E)-2-butenedioic acid; carbonic acid octan-3-yl octyl ester IUPAC Name: (E)-but-2-enedioic acid; octan-3-yl octyl carbonate Traditional Name: carbonic acid 1-ethylhexyl octyl ester; fumaric acid Formula: C21H38O7 MolecularWeight: 402.52222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)OC(CC)CCCCC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)OC(CC)CCCCC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H34O3.C4H4O4/c1-4-7-9-10-11-13-15-19-17(18)20-16(6-3)14-12-8-5-2;5-3(6)1-2-4(7)8/h16H,4-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+