1-Hydroxy-4-(1-(4-Hydroxy-3-(Methoxycarbonyl)-1-Naphthyl)-3-Oxo-1H,3H-Naphtho(1,8-cd)Pyran-1-Yl)-6-(Octadecyloxy)-2-Naphthoic Acid
[CAS# 38122-80-4]

Identification

• Name: 1-Hydroxy-4-(1-(4-Hydroxy-3-(Methoxycarbonyl)-1-Naphthyl)-3-Oxo-1H,3H-Naphtho(1,8-cd)Pyran-1-Yl)-6-(Octadecyloxy)-2-Naphthoic Acid
• Synonyms: 2-Naphthalenecarboxylic Acid, 1-Hydroxy-4-(1-(4-Hydroxy-3-(Methoxycarbonyl)-1-Naphthalenyl)-3-Oxo-1H,3H-Naphtho(1,8-Cd)Pyran-1-Yl)-6-(Octadecyloxy)-; 1-Hydroxy-4-(1-(4-Hydroxy-3-(Methoxycarbonyl)-1-Naphthalenyl)-3-Oxo-1H,3H-Naphtho(1,8-Cd)Pyran-1-Yl)-6-(Octadecyloxy)-2-Naphthalenecarboxylic Acid
• Molecular Formula: C₅₃H₅₈O₉
• Molecular Weight: 839.04
• CAS Registry Number: 38122-80-4
• EINECS: 253-791-1
• SMILES: C1=C(C(=C7C(=C1C3(OC(=O)C2=CC=CC4=C2C3=CC=C4)C5=C6C(=C(O)C(=C5)C(OC)=O)C=CC=C6)C=C(OCCCCCCCCCCCCCCCCCC)C=C7)O)C(=O)O
• InChI: 1S/C53H58O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31-61-36-29-30-39-41(32-36)46(33-42(48(39)54)50(56)57)53(44-28-22-24-35-23-21-27-40(47(35)44)52(59)62-53)45-34-43(51(58)60-2)49(55)38-26-19-18-25-37(38)45/h18-19,21-30,32-34,54-55H,3-17,20,31H2,1-2H3,(H,56,57)
• InChIKey: GQAKXAZXUYZQAI-UHFFFAOYSA-N

Properties

• Density: 1.221g/cm³ (Cal.)
• Boiling point: 939.465°C at 760 mmHg (Cal.)
• Flash point: 269.084°C (Cal.)