(E)-but-2-enedioate; 4-propylhept-1-yn-4-ylazanium

Systemtic Name: (E)-but-2-enedioate; 4-propylhept-1-yn-4-ylazanium Openeye Name: (E)-but-2-enedioate; 1,1-dipropylbut-3-ynylammonium CAS Name: (E)-2-butenedioate; 4-propylhept-1-yn-4-ylammonium IUPAC Name: (E)-but-2-enedioate; 4-propylhept-1-yn-4-ylazanium Traditional Name: 1,1-dipropylbut-3-ynylammonium fumarate Formula: C24H42N2O4 MolecularWeight: 422.60128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H19N.C4H4O4/c2*1-4-7-10(11,8-5-2)9-6-3;5-3(6)1-2-4(7)8/h2*1H,5-9,11H2,2-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+