3-(2,3,4,5,6-pentakis-phenylphenyl)phthalic acid

Systemtic Name: 3-(2,3,4,5,6-pentakis-phenylphenyl)phthalic acid Openeye Name: 3-(2,3,4,5,6-pentakis-phenylphenyl)phthalic acid CAS Name: 3-(2,3,4,5,6-pentakis-phenylphenyl)phthalic acid IUPAC Name: 3-(2,3,4,5,6-pentakis-phenylphenyl)phthalic acid Traditional Name: 3-(2,3,4,5,6-pentakis-phenylphenyl)phthalic acid Formula: C44H30O4 MolecularWeight: 622.7066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C(=CC=C5)C(=O)O)C(=O)O)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C(=CC=C5)C(=O)O)C(=O)O)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C44H30O4/c45-43(46)35-28-16-27-34(41(35)44(47)48)42-39(32-23-12-4-13-24-32)37(30-19-8-2-9-20-30)36(29-17-6-1-7-18-29)38(31-21-10-3-11-22-31)40(42)33-25-14-5-15-26-33/h1-28H,(H,45,46)(H,47,48)