4-[4,6-bis(4-carboxylatophenyl)-1,3,5-triazin-2-yl]benzoate

Systemtic Name: 4-[4,6-bis(4-carboxylatophenyl)-1,3,5-triazin-2-yl]benzoate Openeye Name: 4-[4,6-bis(4-carboxylatophenyl)-1,3,5-triazin-2-yl]benzoate CAS Name: 4-[4,6-bis(4-carboxylatophenyl)-1,3,5-triazin-2-yl]benzoate IUPAC Name: 4-[4,6-bis(4-carboxylatophenyl)-1,3,5-triazin-2-yl]benzoate Traditional Name: 4-[4,6-bis(4-carboxylatophenyl)-s-triazin-2-yl]benzoate Formula: C24H12N3O6-3 MolecularWeight: 438.36858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NC(=N2)C3=CC=C(C=C3)C(=O)[O-])C4=CC=C(C=C4)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NC(=N2)C3=CC=C(C=C3)C(=O)[O-])C4=CC=C(C=C4)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C24H15N3O6/c28-22(29)16-7-1-13(2-8-16)19-25-20(14-3-9-17(10-4-14)23(30)31)27-21(26-19)15-5-11-18(12-6-15)24(32)33/h1-12H,(H,28,29)(H,30,31)(H,32,33)/p-3