(E)-but-2-enedioate; hydron; 2,3,4-trimethoxybenzoate

Systemtic Name: (E)-but-2-enedioate; hydron; 2,3,4-trimethoxybenzoate Openeye Name: (E)-but-2-enedioate; hydron; 2,3,4-trimethoxybenzoate CAS Name: (E)-2-butenedioate; hydron; 2,3,4-trimethoxybenzoate IUPAC Name: (E)-but-2-enedioate; hydron; 2,3,4-trimethoxybenzoate Traditional Name: hydron; 2,3,4-trimethoxybenzoate; fumarate Formula: C14H14O9-2 MolecularWeight: 326.25556

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Descriptors Computed from Structure

Canonical SMILES:

[H+].COC1=C(C(=C(C=C1)C(=O)[O-])OC)OC.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

[H+].COC1=C(C(=C(C=C1)C(=O)[O-])OC)OC.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C10H12O5.C4H4O4/c1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3;5-3(6)1-2-4(7)8/h4-5H,1-3H3,(H,11,12);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+