3,4-bis(2,3-dicarboxyphenyl)-5-(dimethylamino)phthalic acid

Systemtic Name: 3,4-bis(2,3-dicarboxyphenyl)-5-(dimethylamino)phthalic acid Openeye Name: 3,4-bis(2,3-dicarboxyphenyl)-5-(dimethylamino)phthalic acid CAS Name: 3,4-bis(2,3-dicarboxyphenyl)-5-(dimethylamino)phthalic acid IUPAC Name: 3,4-bis(2,3-dicarboxyphenyl)-5-(dimethylamino)phthalic acid Traditional Name: 3,4-bis(2,3-dicarboxyphenyl)-5-(dimethylamino)phthalic acid Formula: C26H19NO12 MolecularWeight: 537.42856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C(=C(C(=C1)C(=O)O)C(=O)O)C2=C(C(=CC=C2)C(=O)O)C(=O)O)C3=C(C(=CC=C3)C(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1=C(C(=C(C(=C1)C(=O)O)C(=O)O)C2=C(C(=CC=C2)C(=O)O)C(=O)O)C3=C(C(=CC=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C26H19NO12/c1-27(2)15-9-14(23(32)33)20(26(38)39)19(11-6-4-8-13(22(30)31)17(11)25(36)37)18(15)10-5-3-7-12(21(28)29)16(10)24(34)35/h3-9H,1-2H3,(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H,38,39)