2,6-bis(4-methylsulfonylphenyl)-4-[2,4,6-tris(4-methylsulfonylphenyl)pyridin-1-ium-1-yl]phenol

Systemtic Name: 2,6-bis(4-methylsulfonylphenyl)-4-[2,4,6-tris(4-methylsulfonylphenyl)pyridin-1-ium-1-yl]phenol Openeye Name: 2,6-bis(4-methylsulfonylphenyl)-4-[2,4,6-tris(4-methylsulfonylphenyl)pyridin-1-ium-1-yl]phenol CAS Name: 2,6-bis(4-methylsulfonylphenyl)-4-[2,4,6-tris(4-methylsulfonylphenyl)-1-pyridin-1-iumyl]phenol IUPAC Name: 2,6-bis(4-methylsulfonylphenyl)-4-[2,4,6-tris(4-methylsulfonylphenyl)pyridin-1-ium-1-yl]phenol Traditional Name: 2,6-bis(4-mesylphenyl)-4-[2,4,6-tris(4-mesylphenyl)pyridin-1-ium-1-yl]phenol Formula: C46H40NO11S5+ MolecularWeight: 943.1349

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC(=C(C(=C4)C5=CC=C(C=C5)S(=O)(=O)C)O)C6=CC=C(C=C6)S(=O)(=O)C)C7=CC=C(C=C7)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC(=C(C(=C4)C5=CC=C(C=C5)S(=O)(=O)C)O)C6=CC=C(C=C6)S(=O)(=O)C)C7=CC=C(C=C7)S(=O)(=O)C

InChI

InChI=1S/C46H39NO11S5/c1-59(49,50)37-16-6-30(7-17-37)35-26-44(33-12-22-40(23-13-33)62(4,55)56)47(45(27-35)34-14-24-41(25-15-34)63(5,57)58)36-28-42(31-8-18-38(19-9-31)60(2,51)52)46(48)43(29-36)32-10-20-39(21-11-32)61(3,53)54/h6-29H,1-5H3/p+1