(4-methoxyphenyl)azanium; 4-oxidanylidenepyran-2,6-dicarboxylate

Systemtic Name: (4-methoxyphenyl)azanium; 4-oxidanylidenepyran-2,6-dicarboxylate Openeye Name: (4-methoxyphenyl)ammonium; 4-oxopyran-2,6-dicarboxylate CAS Name: (4-methoxyphenyl)ammonium; 4-oxopyran-2,6-dicarboxylate IUPAC Name: (4-methoxyphenyl)azanium; 4-oxopyran-2,6-dicarboxylate Traditional Name: 4-ketopyran-2,6-dicarboxylate; (4-methoxyphenyl)ammonium Formula: C21H22N2O8 MolecularWeight: 430.40798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[NH3+].COC1=CC=C(C=C1)[NH3+].C1=C(OC(=CC1=O)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[NH3+].COC1=CC=C(C=C1)[NH3+].C1=C(OC(=CC1=O)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C7H9NO.C7H4O6/c2*1-9-7-4-2-6(8)3-5-7;8-3-1-4(6(9)10)13-5(2-3)7(11)12/h2*2-5H,8H2,1H3;1-2H,(H,9,10)(H,11,12)