(E)-but-2-enedioate; 4-oxa-8-azaspiro[4.5]decane-2-carboxylate

Systemtic Name: (E)-but-2-enedioate; 4-oxa-8-azaspiro[4.5]decane-2-carboxylate Openeye Name: (E)-but-2-enedioate; 4-oxa-8-azaspiro[4.5]decane-2-carboxylate CAS Name: (E)-2-butenedioate; 4-oxa-8-azaspiro[4.5]decane-2-carboxylate IUPAC Name: (E)-but-2-enedioate; 4-oxa-8-azaspiro[4.5]decane-2-carboxylate Traditional Name: 4-oxa-8-azaspiro[4.5]decane-2-carboxylate fumarate Formula: C13H16NO7-3 MolecularWeight: 298.26864

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC12CC(CO2)C(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CNCCC12CC(CO2)C(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C9H15NO3.C4H4O4/c11-8(12)7-5-9(13-6-7)1-3-10-4-2-9;5-3(6)1-2-4(7)8/h7,10H,1-6H2,(H,11,12);1-2H,(H,5,6)(H,7,8)/p-3/b;2-1+