|
BZJ : Summary
Code
|
BZJ
|
One-letter code
|
X
|
Molecule name
|
3-hydroxynaphthalene-2-carboxylic acid
|
Systematic names
|
|
Formula
|
C11 H8 O3
|
Formal charge
|
0
|
Molecular weight
|
188.179 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
C(c1c(cc2c(c1)cccc2)O)(O)=O |
SMILES
|
CACTVS |
3.385 |
OC(=O)c1cc2ccccc2cc1O |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1ccc2cc(c(cc2c1)C(=O)O)O |
Canonical SMILES
|
CACTVS |
3.385 |
OC(=O)c1cc2ccccc2cc1O |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1ccc2cc(c(cc2c1)C(=O)O)O |
|
IUPAC InChI | InChI=1S/C11H8O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H,(H,13,14) |
IUPAC InChI key | ALKYHXVLJMQRLQ-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
22 (14 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2017-09-06
|
Last modified at
|
2018-09-07
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|