(Z)-but-2-enedioate; N,N-dimethylethanamine; octanoate

Systemtic Name: (Z)-but-2-enedioate; N,N-dimethylethanamine; octanoate Openeye Name: (Z)-but-2-enedioate; N,N-dimethylethanamine; octanoate CAS Name: (Z)-2-butenedioate; N,N-dimethylethanamine; octanoate IUPAC Name: (Z)-but-2-enedioate; N,N-dimethylethanamine; octanoate Traditional Name: caprylate; ethyl(dimethyl)amine; maleate Formula: C16H27NO6-3 MolecularWeight: 329.38868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC(=O)[O-].CN(C)C[CH2].C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C8H16O2.C4H10N.C4H4O4/c1-2-3-4-5-6-7-8(9)10;1-4-5(2)3;5-3(6)1-2-4(7)8/h2-7H2,1H3,(H,9,10);1,4H2,2-3H3;1-2H,(H,5,6)(H,7,8)/p-3/b;;2-1-