ethanedioate; [(E)-4-phenylbut-2-enoxy]azanium

Systemtic Name: ethanedioate; [(E)-4-phenylbut-2-enoxy]azanium Openeye Name: oxalate; [(E)-4-phenylbut-2-enoxy]ammonium CAS Name: oxalate; [(E)-4-phenylbut-2-enoxy]ammonium IUPAC Name: oxalate; [(E)-4-phenylbut-2-enoxy]azanium Traditional Name: oxalate; [(E)-4-phenylbut-2-enoxy]ammonium Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC=CCO[NH3+].C1=CC=C(C=C1)CC=CCO[NH3+].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C/C=C/CO[NH3+].C1=CC=C(C=C1)C/C=C/CO[NH3+].C(=O)([O-])C(=O)[O-]

InChI

InChI=1S/2C10H14NO.C2H2O4/c2*11-12-9-5-4-8-10-6-2-1-3-7-10;3-1(4)2(5)6/h2*1-7H,8-9H2,11H3;(H,3,4)(H,5,6)/q2*+1;/p-2/b2*5-4+;