The Biofilms Structural Database

Back

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