| SpectraBase Spectrum ID |
HqRnUlp7I2n |
| Name |
4'-Nitrophenyl(3-amino-4-methoxyphenyl)sulfonate -> 2-hydroxynaphthoic arylide-2-methylanilide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
612.131484915 u |
| Formula |
C31H24N4O8S |
| InChI |
InChI=1S/C31H24N4O8S/c1-19-7-3-6-10-26(19)32-31(37)25-17-20-8-4-5-9-24(20)29(30(25)36)34-33-27-18-23(15-16-28(27)42-2)44(40,41)43-22-13-11-21(12-14-22)35(38)39/h3-18,36H,1-2H3,(H,32,37)/b34-33+ |
| InChIKey |
SECAKRZQBSFFML-JEIPZWNWSA-N |
| Molecular Weight |
612.613 g/mol |
| Nominal Mass |
612 u |
| SMILES |
N(C1=CC=CC=C1C)C(C1=C(C(=C2C(=C1)C=CC=C2)\N=N\C1=CC(=CC=C1OC)S(OC1=CC=C(C=C1)N(=O)=O)(=O)=O)O)=O |
