diazanium 4-[3-(4-carboxylatophenyl)carbonyloxyphenoxy]carbonylbenzoate

Systemtic Name: diazanium 4-[3-(4-carboxylatophenyl)carbonyloxyphenoxy]carbonylbenzoate Openeye Name: diammonium 4-[3-(4-carboxylatobenzoyl)oxyphenoxy]carbonylbenzoate CAS Name: diammonium 4-[[3-[(4-carboxylatophenyl)-oxomethoxy]phenoxy]-oxomethyl]benzoate IUPAC Name: diazanium 4-[3-(4-carboxylatobenzoyl)oxyphenoxy]carbonylbenzoate Traditional Name: diammonium 4-[3-(4-carboxylatobenzoyl)oxyphenoxy]carbonylbenzoate Formula: C22H20N2O8 MolecularWeight: 440.4028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)C(=O)[O-])OC(=O)C3=CC=C(C=C3)C(=O)[O-].[NH4+].[NH4+]

Isomeric SMILES

C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)C(=O)[O-])OC(=O)C3=CC=C(C=C3)C(=O)[O-].[NH4+].[NH4+]

InChI

InChI=1S/C22H14O8.2H3N/c23-19(24)13-4-8-15(9-5-13)21(27)29-17-2-1-3-18(12-17)30-22(28)16-10-6-14(7-11-16)20(25)26;;/h1-12H,(H,23,24)(H,25,26);2*1H3