(E)-but-2-enedioate; 2-cyclopentylhexanoate; N,N-dimethylethanamine

Systemtic Name: (E)-but-2-enedioate; 2-cyclopentylhexanoate; N,N-dimethylethanamine Openeye Name: (E)-but-2-enedioate; 2-cyclopentylhexanoate; N,N-dimethylethanamine CAS Name: (E)-2-butenedioate; 2-cyclopentylhexanoate; N,N-dimethylethanamine IUPAC Name: (E)-but-2-enedioate; 2-cyclopentylhexanoate; N,N-dimethylethanamine Traditional Name: 2-cyclopentylhexanoate; ethyl(dimethyl)amine; fumarate Formula: C19H31NO6-3 MolecularWeight: 369.45254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1CCCC1)C(=O)[O-].CN(C)C[CH2].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC(C1CCCC1)C(=O)[O-].CN(C)C[CH2].C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C11H20O2.C4H10N.C4H4O4/c1-2-3-8-10(11(12)13)9-6-4-5-7-9;1-4-5(2)3;5-3(6)1-2-4(7)8/h9-10H,2-8H2,1H3,(H,12,13);1,4H2,2-3H3;1-2H,(H,5,6)(H,7,8)/p-3/b;;2-1+