(2E,4E)-hexa-2,4-dienedioate; (phenylmethyl)azanium

Systemtic Name: (2E,4E)-hexa-2,4-dienedioate; (phenylmethyl)azanium Openeye Name: benzylammonium; (2E,4E)-hexa-2,4-dienedioate CAS Name: (2E,4E)-hexa-2,4-dienedioate; (phenylmethyl)ammonium IUPAC Name: benzylazanium; (2E,4E)-hexa-2,4-dienedioate Traditional Name: benzylammonium; (2E,4E)-muconate Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H9N.C6H6O4/c2*8-6-7-4-2-1-3-5-7;7-5(8)3-1-2-4-6(9)10/h2*1-5H,6,8H2;1-4H,(H,7,8)(H,9,10)/b;;3-1+,4-2+