(E)-but-2-enedioate; ethyl (E)-octadec-9-enoate

Systemtic Name: (E)-but-2-enedioate; ethyl (E)-octadec-9-enoate Openeye Name: (E)-but-2-enedioate; ethyl (E)-octadec-9-enoate CAS Name: (E)-2-butenedioate; (E)-9-octadecenoic acid ethyl ester IUPAC Name: (E)-but-2-enedioate; ethyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid ethyl ester fumarate Formula: C24H40O6-2 MolecularWeight: 424.5708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C20H38O2.C4H4O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2;5-3(6)1-2-4(7)8/h11-12H,3-10,13-19H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-2/b12-11+;2-1+