2,6-diphenyl-4-[2,4,6-tris(4-methylsulfonylphenyl)pyridin-1-ium-1-yl]phenolate

Systemtic Name: 2,6-diphenyl-4-[2,4,6-tris(4-methylsulfonylphenyl)pyridin-1-ium-1-yl]phenolate Openeye Name: 2,6-diphenyl-4-[2,4,6-tris(4-methylsulfonylphenyl)pyridin-1-ium-1-yl]phenolate CAS Name: 2,6-diphenyl-4-[2,4,6-tris(4-methylsulfonylphenyl)-1-pyridin-1-iumyl]phenolate IUPAC Name: 2,6-diphenyl-4-[2,4,6-tris(4-methylsulfonylphenyl)pyridin-1-ium-1-yl]phenolate Traditional Name: 2,6-diphenyl-4-[2,4,6-tris(4-mesylphenyl)pyridin-1-ium-1-yl]phenolate Formula: C44H35NO7S3 MolecularWeight: 785.9462

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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=CC=C5)[O-])C6=CC=CC=C6)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=CC=C5)[O-])C6=CC=CC=C6)C7=CC=C(C=C7)S(=O)(=O)C

InChI

InChI=1S/C44H35NO7S3/c1-53(47,48)37-20-14-30(15-21-37)35-26-42(33-16-22-38(23-17-33)54(2,49)50)45(43(27-35)34-18-24-39(25-19-34)55(3,51)52)36-28-40(31-10-6-4-7-11-31)44(46)41(29-36)32-12-8-5-9-13-32/h4-29H,1-3H3