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

Systemtic Name: (E)-but-2-enedioate; 2-cycloheptylethanoate; N,N-dimethylethanamine Openeye Name: (E)-but-2-enedioate; 2-cycloheptylacetate; N,N-dimethylethanamine CAS Name: (E)-2-butenedioate; 2-cycloheptylacetate; N,N-dimethylethanamine IUPAC Name: (E)-but-2-enedioate; 2-cycloheptylacetate; N,N-dimethylethanamine Traditional Name: 2-cycloheptylacetate; ethyl(dimethyl)amine; fumarate Formula: C17H27NO6-3 MolecularWeight: 341.39938

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C[CH2].C1CCCC(CC1)CC(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN(C)C[CH2].C1CCCC(CC1)CC(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C9H16O2.C4H10N.C4H4O4/c10-9(11)7-8-5-3-1-2-4-6-8;1-4-5(2)3;5-3(6)1-2-4(7)8/h8H,1-7H2,(H,10,11);1,4H2,2-3H3;1-2H,(H,5,6)(H,7,8)/p-3/b;;2-1+