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

Systemtic Name: 3,4-bis(2,3-dicarboxyphenyl)-5-(diphenylamino)phthalic acid Openeye Name: 3,4-bis(2,3-dicarboxyphenyl)-5-(N-phenylanilino)phthalic acid CAS Name: 3,4-bis(2,3-dicarboxyphenyl)-5-(N-phenylanilino)phthalic acid IUPAC Name: 3,4-bis(2,3-dicarboxyphenyl)-5-(N-phenylanilino)phthalic acid Traditional Name: 3,4-bis(2,3-dicarboxyphenyl)-5-(N-phenylanilino)phthalic acid Formula: C36H23NO12 MolecularWeight: 661.56732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=C(C(=C(C(=C3)C(=O)O)C(=O)O)C4=C(C(=CC=C4)C(=O)O)C(=O)O)C5=C(C(=CC=C5)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=C(C(=C(C(=C3)C(=O)O)C(=O)O)C4=C(C(=CC=C4)C(=O)O)C(=O)O)C5=C(C(=CC=C5)C(=O)O)C(=O)O

InChI

InChI=1S/C36H23NO12/c38-31(39)22-15-7-13-20(26(22)34(44)45)28-25(37(18-9-3-1-4-10-18)19-11-5-2-6-12-19)17-24(33(42)43)30(36(48)49)29(28)21-14-8-16-23(32(40)41)27(21)35(46)47/h1-17H,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H,48,49)