3,4-bis(2,3-dicarboxyphenyl)-5,6-diphenyl-phthalic acid

Systemtic Name: 3,4-bis(2,3-dicarboxyphenyl)-5,6-diphenyl-phthalic acid Openeye Name: 3,4-bis(2,3-dicarboxyphenyl)-5,6-diphenyl-phthalic acid CAS Name: 3,4-bis(2,3-dicarboxyphenyl)-5,6-diphenylphthalic acid IUPAC Name: 3,4-bis(2,3-dicarboxyphenyl)-5,6-diphenylphthalic acid Traditional Name: 3,4-bis(2,3-dicarboxyphenyl)-5,6-diphenyl-phthalic acid Formula: C36H22O12 MolecularWeight: 646.55268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=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)C2=C(C(=C(C(=C2C3=CC=CC=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/C36H22O12/c37-31(38)21-15-7-13-19(25(21)33(41)42)27-23(17-9-3-1-4-10-17)24(18-11-5-2-6-12-18)29(35(45)46)30(36(47)48)28(27)20-14-8-16-22(32(39)40)26(20)34(43)44/h1-16H,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)