2-Nitro-5-[(4Z,8Z,12Z,16Z)-5,9,13,17,21-Pentamethyldocosa-4,8,12,16,20-Pentaenyl]Disulfanylbenzoic Acid
[CAS# 151868-50-7]

Identification

• Name: 2-Nitro-5-[(4Z,8Z,12Z,16Z)-5,9,13,17,21-Pentamethyldocosa-4,8,12,16,20-Pentaenyl]Disulfanylbenzoic Acid
• Synonyms: 2-Nitro-5-[(4Z,8Z,12Z,16Z)-5,9,13,17,21-Pentamethyldocosa-4,8,12,16,20-Pentaenyl]Disulfanyl-Benzoic Acid; 3-Carboxy-4-Nitrophenyldithio-1,1',2-Trisnorsqualene; Cndt-Squalene
• Molecular Formula: C₃₄H₄₉NO₄S₂
• Molecular Weight: 599.89
• CAS Registry Number: 151868-50-7
• SMILES: C1=C(C(=CC=C1SSCCC\C=C(/CC\C=C(/CC\C=C(/CC\C=C(/CCC=C(C)C)C)C)C)C)[N+]([O-])=O)C(=O)O
• InChI: 1S/C34H49NO4S2/c1-26(2)13-9-15-28(4)17-11-19-30(6)21-12-20-29(5)18-10-16-27(3)14-7-8-24-40-41-31-22-23-33(35(38)39)32(25-31)34(36)37/h13-14,17-18,21-23,25H,7-12,15-16,19-20,24H2,1-6H3,(H,36,37)/b27-14-,28-17-,29-18-,30-21-
• InChIKey: LOFWGUHSPHTEBG-RBTKMAPZSA-N

Properties

• Density: 1.104g/cm³ (Cal.)
• Boiling point: 698.002°C at 760 mmHg (Cal.)
• Flash point: 375.938°C (Cal.)