4-(3,3-Dimethyl-1-Oxotridecyl)Benzenesulfonic Acid
[CAS# 81918-89-0]

Identification

• Name: 4-(3,3-Dimethyl-1-Oxotridecyl)Benzenesulfonic Acid
• Synonyms: Sodium 4-(3,3-Dimethyl-1-Oxotridecyl)Benzenesulfonate; 4-(3,3-Dimethyl-1-Oxotridecyl)Benzenesulfonic Acid; Benzenesulfonic Acid, 4-(3,3-Dimethyl-1-Oxotridecyl)-, Sodium Salt
• Molecular Formula: C₂₁H₃₃NaO₄S
• Molecular Weight: 404.54
• CAS Registry Number: 81918-89-0
• SMILES: C1=C([S]([O-])(=O)=O)C=CC(=C1)C(=O)CC(CCCCCCCCCC)(C)C.[Na+]
• InChI: 1S/C21H34O4S.Na/c1-4-5-6-7-8-9-10-11-16-21(2,3)17-20(22)18-12-14-19(15-13-18)26(23,24)25;/h12-15H,4-11,16-17H2,1-3H3,(H,23,24,25);/q;+1/p-1
• InChIKey: KAUACPAFHSHHPM-UHFFFAOYSA-M