4-(1-(3-Carboxy-4-hydroxy-1-naphthyl)-3-oxo-1H,3H-naphtho(1,8-cd)pyran-1-yl)-1-hydroxy-6-(octadecyloxy)-2-naphthoic acid
[CAS# 38122-81-5]

Identification

• Name: 4-(1-(3-Carboxy-4-hydroxy-1-naphthyl)-3-oxo-1H,3H-naphtho(1,8-cd)pyran-1-yl)-1-hydroxy-6-(octadecyloxy)-2-naphthoic acid
• Synonyms: 2-Naphthalenecarboxylic Acid, 4-(1-(3-Carboxy-4-Hydroxy-1-Naphthalenyl)-3-Oxo-1H,3H-Naphtho(1,8-Cd)Pyran-1-Yl)-1-Hydroxy-6-(Octadecyloxy)-; 3-(3'-Carboxy-4'-Hydroxy-1'-Naphthyl)-3-(3''-Carboxy-4''-Hydroxy-7''-N-Octadecyloxy-1''-Naphthyl)Naphthalide; 4-(1-(3-Carboxy-4-Hydroxy-1-Naphthalenyl)-3-Oxo-1H,3H-Naphtho(1,8-Cd)Pyran-1-Yl)-1-Hydroxy-6-(Octadecyloxy)-2-Naphthalenecarboxylic Acid
• Molecular Formula: C₅₂H₅₆O₉
• Molecular Weight: 825.01
• CAS Registry Number: 38122-81-5
• EINECS: 253-792-7
• SMILES: C1=C(C(=C7C(=C1C3(OC(=O)C2=CC=CC4=C2C3=CC=C4)C5=C6C(=C(O)C(=C5)C(=O)O)C=CC=C6)C=C(OCCCCCCCCCCCCCCCCCC)C=C7)O)C(=O)O
• InChI: 1S/C52H56O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30-60-35-28-29-38-40(31-35)45(33-42(48(38)54)50(57)58)52(43-27-21-23-34-22-20-26-39(46(34)43)51(59)61-52)44-32-41(49(55)56)47(53)37-25-18-17-24-36(37)44/h17-18,20-29,31-33,53-54H,2-16,19,30H2,1H3,(H,55,56)(H,57,58)
• InChIKey: AANWBJLLAXURNB-UHFFFAOYSA-N

Properties

• Density: 1.247g/cm³ (Cal.)
• Boiling point: 947.963°C at 760 mmHg (Cal.)
• Flash point: 273.937°C (Cal.)