Acid Yellow 72
AlkaPlorer ID: AK052751
Synonym: None
IUPAC Name: None
Structure
SMILES: CCCCCCCCCCCCC1=CC=C(N=NC2C(=O)N(C3=CC(Cl)=C(S(=O)(=O)[O-])C=C3Cl)N=C2C)C=C1
InChI: InChI=1S/C28H36Cl2N4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-21-14-16-22(17-15-21)31-32-27-20(2)33-34(28(27)35)25-18-24(30)26(19-23(25)29)39(36,37)38/h14-19,27H,3-13H2,1-2H3,(H,36,37,38)/p-1
InChIKey: SIWFBKUKQZOOAO-UHFFFAOYSA-M
Reference
COCONUT: CNP0467125
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Digitalis ferruginea | Digitalis | Plantaginaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Digitalis lanata | Digitalis | Plantaginaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 594.585
TPSA？: 114.59
MolLogP？: 8.235900000000008
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|