(E)-but-2-enedioate; 2,4-dimethyloctan-4-ylazanium; 4,7-dimethyloctan-4-ylazanium

Systemtic Name: (E)-but-2-enedioate; 2,4-dimethyloctan-4-ylazanium; 4,7-dimethyloctan-4-ylazanium Openeye Name: (E)-but-2-enedioate; (1,4-dimethyl-1-propyl-pentyl)ammonium; (1-isobutyl-1-methyl-pentyl)ammonium CAS Name: (E)-2-butenedioate; 2,4-dimethyloctan-4-ylammonium; 4,7-dimethyloctan-4-ylammonium IUPAC Name: (E)-but-2-enedioate; 2,4-dimethyloctan-4-ylazanium; 4,7-dimethyloctan-4-ylazanium Traditional Name: (1,4-dimethyl-1-propyl-pentyl)ammonium; (1-isobutyl-1-methyl-pentyl)ammonium; fumarate Formula: C24H50N2O4 MolecularWeight: 430.6648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC(C)C)[NH3+].CCCC(C)(CCC(C)C)[NH3+].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC(C)(CC(C)C)[NH3+].CCCC(C)(CCC(C)C)[NH3+].C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/2C10H23N.C4H4O4/c1-5-7-10(4,11)8-6-9(2)3;1-5-6-7-10(4,11)8-9(2)3;5-3(6)1-2-4(7)8/h2*9H,5-8,11H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+