The Biofilms Structural Database |
Chlorophenol Red-b-D-galactopyranoside |
|
---|---|
4LK6 |
|
Code
LRD | |
Name |
2-[(E)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid |
Molecular Weight |
423.27 |
Isomeric SMILES |
Oc1ccc(cc1Cl)C(=C1\C=CC(=O)C(Cl)=C1)\c1ccccc1S(O)(=O)=O |
Formula |
C19H12Cl2O5S |
Identifiers |
2-[(E)-(3-chloranyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-chloranyl-4-oxidanyl-phenyl)methyl]benzenesulfonic acid |
Formal Charge |
0 |
InChI |
InChI=1S/C19H12Cl2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26/h1-10,22H,(H,24,25,26)/b19-12+ |
Atom Count |
39 |
InChIKey |
QXTPRQZMDKBTAI-XDHOZWIPSA-N |
PDB codes |
4LK6 |
Type |
NON-POLYMER |
Chiral Atom Count |
0 |
Chiral Atoms |
n/a |
Bond Count |
41 |
Aromatic Bond Count |
12 |
Leaving Atoms |
n/a |