(2-chlorophenyl)methylazanium; (2Z,4Z)-hexa-2,4-dienedioate

Systemtic Name: (2-chlorophenyl)methylazanium; (2Z,4Z)-hexa-2,4-dienedioate Openeye Name: (2-chlorophenyl)methylammonium; (2Z,4Z)-hexa-2,4-dienedioate CAS Name: (2-chlorophenyl)methylammonium; (2Z,4Z)-hexa-2,4-dienedioate IUPAC Name: (2-chlorophenyl)methylazanium; (2Z,4Z)-hexa-2,4-dienedioate Traditional Name: (2-chlorobenzyl)ammonium; (2Z,4Z)-muconate Formula: C20H22Cl2N2O4 MolecularWeight: 425.30568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H8ClN.C6H6O4/c2*8-7-4-2-1-3-6(7)5-9;7-5(8)3-1-2-4-6(9)10/h2*1-4H,5,9H2;1-4H,(H,7,8)(H,9,10)/b;;3-1-,4-2-