4-Methylbenzenesulfonic Acid
[CAS# 4846-75-7]

Identification

• Name: 4-Methylbenzenesulfonic Acid
• Synonyms: 1-Ethyl-2-[5-(1-Ethyl-2-Quinolylidene)Penta-1,3-Dienyl]Quinolin-1-Ium; 4-Methylbenzenesulfonate; Nsc525306
• Molecular Formula: C₃₄H₃₄N₂O₃S
• Molecular Weight: 550.71
• CAS Registry Number: 4846-75-7
• SMILES: C1=CC=CC4=C1N(CC)C(=CC=CC=CC3=[N+](CC)C2=C(C=CC=C2)C=C3)C=C4.C5=CC(=CC=C5[S]([O-])(=O)=O)C
• InChI: 1S/C27H27N2.C7H8O3S/c1-3-28-24(20-18-22-12-8-10-16-26(22)28)14-6-5-7-15-25-21-19-23-13-9-11-17-27(23)29(25)4-2;1-6-2-4-7(5-3-6)11(8,9)10/h5-21H,3-4H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
• InChIKey: GMSYLDHADURIOG-UHFFFAOYSA-M