3-[2,3,4,5,6-pentakis(3-carboxyphenyl)phenyl]benzoic acid

Systemtic Name: 3-[2,3,4,5,6-pentakis(3-carboxyphenyl)phenyl]benzoic acid Openeye Name: 3-[2,3,4,5,6-pentakis(3-carboxyphenyl)phenyl]benzoic acid CAS Name: 3-[2,3,4,5,6-pentakis(3-carboxyphenyl)phenyl]benzoic acid IUPAC Name: 3-[2,3,4,5,6-pentakis(3-carboxyphenyl)phenyl]benzoic acid Traditional Name: 3-[2,3,4,5,6-pentakis(3-carboxyphenyl)phenyl]benzoic acid Formula: C48H30O12 MolecularWeight: 798.7446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H30O12/c49-43(50)31-13-1-7-25(19-31)37-38(26-8-2-14-32(20-26)44(51)52)40(28-10-4-16-34(22-28)46(55)56)42(30-12-6-18-36(24-30)48(59)60)41(29-11-5-17-35(23-29)47(57)58)39(37)27-9-3-15-33(21-27)45(53)54/h1-24H,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)