4-methylbenzenesulfonate; 4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenol

Systemtic Name: 4-methylbenzenesulfonate; 4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenol Openeye Name: 4-methylbenzenesulfonate; 4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenol CAS Name: 4-methylbenzenesulfonate; 4-(2,4,6-triphenyl-1-pyridin-1-iumyl)phenol IUPAC Name: 4-methylbenzenesulfonate; 4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenol Traditional Name: 4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenol tosylate Formula: C36H29NO4S MolecularWeight: 571.68476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C29H21NO.C7H8O3S/c31-27-18-16-26(17-19-27)30-28(23-12-6-2-7-13-23)20-25(22-10-4-1-5-11-22)21-29(30)24-14-8-3-9-15-24;1-6-2-4-7(5-3-6)11(8,9)10/h1-21H;2-5H,1H3,(H,8,9,10)