calcium; (E)-but-2-enedioate; diethyl (E)-but-2-enedioate

Systemtic Name: calcium; (E)-but-2-enedioate; diethyl (E)-but-2-enedioate Openeye Name: calcium; (E)-but-2-enedioate; diethyl (E)-but-2-enedioate CAS Name: calcium; (E)-2-butenedioate; (E)-2-butenedioic acid diethyl ester IUPAC Name: calcium; (E)-but-2-enedioate; diethyl (E)-but-2-enedioate Traditional Name: calcium (E)-but-2-enedioic acid diethyl ester fumarate Formula: C12H14CaO8 MolecularWeight: 326.31276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC.C(=CC(=O)[O-])C(=O)[O-].[Ca+2]

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC.C(=C/C(=O)[O-])\C(=O)[O-].[Ca+2]

InChI

InChI=1S/C8H12O4.C4H4O4.Ca/c1-3-11-7(9)5-6-8(10)12-4-2;5-3(6)1-2-4(7)8;/h5-6H,3-4H2,1-2H3;1-2H,(H,5,6)(H,7,8);/q;;+2/p-2/b6-5+;2-1+;