(3,5-dimethylphenyl)methylazanium; 2-(4-methylphenyl)sulfonyloxy-3,3-diphenyl-propanoate

Systemtic Name: (3,5-dimethylphenyl)methylazanium; 2-(4-methylphenyl)sulfonyloxy-3,3-diphenyl-propanoate Openeye Name: (3,5-dimethylphenyl)methylammonium; 3,3-diphenyl-2-(p-tolylsulfonyloxy)propanoate CAS Name: (3,5-dimethylphenyl)methylammonium; 2-(4-methylphenyl)sulfonyloxy-3,3-diphenylpropanoate IUPAC Name: (3,5-dimethylphenyl)methylazanium; 2-(4-methylphenyl)sulfonyloxy-3,3-diphenylpropanoate Traditional Name: (3,5-dimethylbenzyl)ammonium; 3,3-diphenyl-2-tosyloxy-propionate Formula: C31H33NO5S MolecularWeight: 531.66242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[O-].CC1=CC(=CC(=C1)C[NH3+])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[O-].CC1=CC(=CC(=C1)C[NH3+])C

InChI

InChI=1S/C22H20O5S.C9H13N/c1-16-12-14-19(15-13-16)28(25,26)27-21(22(23)24)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-7-3-8(2)5-9(4-7)6-10/h2-15,20-21H,1H3,(H,23,24);3-5H,6,10H2,1-2H3