2-Hexadecoxy-5-[2-(1-Phenyltetrazol-5-Yl)Sulfanylacetyl]Benzenesulfonic Acid
[CAS# 38407-79-3]

Identification

• Name: 2-Hexadecoxy-5-[2-(1-Phenyltetrazol-5-Yl)Sulfanylacetyl]Benzenesulfonic Acid
• Synonyms: 2-Hexadecoxy-5-[1-Oxo-2-[(1-Phenyl-5-Tetrazolyl)Thio]Ethyl]Benzenesulfonic Acid; 2-Cetyloxy-5-[2-[(1-Phenyltetrazol-5-Yl)Thio]Acetyl]Benzenesulfonic Acid; 2-Hexadecoxy-5-[2-[(1-Phenyl-1,2,3,4-Tetrazol-5-Yl)Sulfanyl]Ethanoyl]Benzenesulfonic Acid
• Molecular Formula: C₃₁H₄₄N₄O₅S₂
• Molecular Weight: 616.83
• CAS Registry Number: 38407-79-3
• EINECS: 253-914-9
• SMILES: C3=C(C(=O)CSC1=NN=N[N]1C2=CC=CC=C2)C=CC(=C3[S](=O)(=O)O)OCCCCCCCCCCCCCCCC
• InChI: 1S/C31H44N4O5S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-40-29-22-21-26(24-30(29)42(37,38)39)28(36)25-41-31-32-33-34-35(31)27-19-16-15-17-20-27/h15-17,19-22,24H,2-14,18,23,25H2,1H3,(H,37,38,39)
• InChIKey: DTIQUXHSHTXVAX-UHFFFAOYSA-N

Properties

• Density: 1.221g/cm³ (Cal.)