4-[2,3,4,5,6-pentakis(4-sulfophenyl)phenyl]benzenesulfonic acid

Systemtic Name: 4-[2,3,4,5,6-pentakis(4-sulfophenyl)phenyl]benzenesulfonic acid Openeye Name: 4-[2,3,4,5,6-pentakis(4-sulfophenyl)phenyl]benzenesulfonic acid CAS Name: 4-[2,3,4,5,6-pentakis(4-sulfophenyl)phenyl]benzenesulfonic acid IUPAC Name: 4-[2,3,4,5,6-pentakis(4-sulfophenyl)phenyl]benzenesulfonic acid Traditional Name: 4-[2,3,4,5,6-pentakis(4-sulfophenyl)phenyl]besylic acid Formula: C42H30O18S6 MolecularWeight: 1015.0668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=C(C(=C2C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O)C5=CC=C(C=C5)S(=O)(=O)O)C6=CC=C(C=C6)S(=O)(=O)O)C7=CC=C(C=C7)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=C(C(=C2C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O)C5=CC=C(C=C5)S(=O)(=O)O)C6=CC=C(C=C6)S(=O)(=O)O)C7=CC=C(C=C7)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C42H30O18S6/c43-61(44,45)31-13-1-25(2-14-31)37-38(26-3-15-32(16-4-26)62(46,47)48)40(28-7-19-34(20-8-28)64(52,53)54)42(30-11-23-36(24-12-30)66(58,59)60)41(29-9-21-35(22-10-29)65(55,56)57)39(37)27-5-17-33(18-6-27)63(49,50)51/h1-24H,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)