4-oxidanylidenepyran-2,6-dicarboxylate; phenylazanium

Systemtic Name: 4-oxidanylidenepyran-2,6-dicarboxylate; phenylazanium Openeye Name: 4-oxopyran-2,6-dicarboxylate; phenylammonium CAS Name: 4-oxopyran-2,6-dicarboxylate; phenylammonium IUPAC Name: 4-oxopyran-2,6-dicarboxylate; phenylazanium Traditional Name: 4-ketopyran-2,6-dicarboxylate; phenylammonium Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[NH3+].C1=CC=C(C=C1)[NH3+].C1=C(OC(=CC1=O)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[NH3+].C1=CC=C(C=C1)[NH3+].C1=C(OC(=CC1=O)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C7H4O6.2C6H7N/c8-3-1-4(6(9)10)13-5(2-3)7(11)12;2*7-6-4-2-1-3-5-6/h1-2H,(H,9,10)(H,11,12);2*1-5H,7H2