RefChem:476637
4-[2-(3-carboxy-4-hydroxynaphthalen-1-yl)-4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]-1-hydroxy-6-octadecoxynaphthalene-2-carboxylic acid
Also Known As: N,N-Dibenzyl-m-toluidine|Phenol,2-cyclohexyl-,sodium salt (9CI)|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)-|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|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-naphthyl)-3-oxo-1h,3h-benzo[de]isochromen-1-yl]-1-hydroxy-6-(octadecyloxy)-2-naphthoic acid|2-Naphthalenecarboxylic acid, 3-[1-(3-carboxy-4-hydroxy-1-naphthalenyl)-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1-hydroxy-6-(octadecyloxy)-|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|4-(1-(3-carboxy-4-hydroxynaphthalen-1-yl)-3-oxo-1H,3H-benzo[de]isochromen-1-yl)-1-hydroxy-6-(octadecyloxy)-2-naphthoic acid|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|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|4-[1-(3-Carboxy-4-hydroxynaphthalen-1-yl)-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1-hydroxy-6-(octadecyloxy)-2-naphthalenecarboxylic acid|4-[1-(3-Carboxy-4-hydroxynaphthalen-1-yl)-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1-hydroxy-6-(octadecyloxy)naphthalene-2-carboxylic acid|4-[2-(3-carboxy-4-hydroxynaphthalen-1-yl)-4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-yl]-1-hydroxy-6-(octadecyloxy)naphthalene-2-carboxylic acid
| Molecular Formula | C52H56O9 |
|---|---|
| Molecular Weight | 824.39246 g/mol |
| LogP | 16.5 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 22 |
| Exact Mass | 824.39246 |
| Monoisotopic Mass | 824.39246 |
| Heavy Atoms | 61 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 6337-58-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC1=CC2=C(C=C(C(=C2C=C1)O)C(=O)O)C3(C4=CC=CC5=C4C(=CC=C5)C(=O)O3)C6=CC(=C(C7=CC=CC=C76)O)C(=O)O |
| InChIKey | AANWBJLLAXURNB-UHFFFAOYSA-N |
Product Overview
RefChem:476637 (CAS 6337-58-2), with molecular formula C52H56O9 and molecular weight 824.39246 g/mol. IUPAC: 4-[2-(3-carboxy-4-hydroxynaphthalen-1-yl)-4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]-1-hydroxy-6-octadecoxynaphthalene-2-carboxylic acid.