(2E,4E)-hexa-2,4-dienedioate; naphthalen-1-ylmethylazanium

Systemtic Name: (2E,4E)-hexa-2,4-dienedioate; naphthalen-1-ylmethylazanium Openeye Name: (2E,4E)-hexa-2,4-dienedioate; 1-naphthylmethylammonium CAS Name: (2E,4E)-hexa-2,4-dienedioate; 1-naphthalenylmethylammonium IUPAC Name: (2E,4E)-hexa-2,4-dienedioate; naphthalen-1-ylmethylazanium Traditional Name: (2E,4E)-muconate; 1-naphthylmethylammonium Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C[NH3+].C1=CC=C2C(=C1)C=CC=C2C[NH3+].C(=CC(=O)[O-])C=CC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=CC=CC2=C1)C[NH3+].C1=CC=C2C(=CC=CC2=C1)C[NH3+].C(=C/C(=O)[O-])\C=C\C(=O)[O-]

InChI

InChI=1S/2C11H11N.C6H6O4/c2*12-8-10-6-3-5-9-4-1-2-7-11(9)10;7-5(8)3-1-2-4-6(9)10/h2*1-7H,8,12H2;1-4H,(H,7,8)(H,9,10)/b;;3-1+,4-2+