|
BIH : Summary
Code
|
BIH
|
One-letter code
|
X
|
Molecule name
|
NAPHTHALENE-2,6-DISULFONIC ACID
|
Synonyms
|
2,6-NAPHTHALENEDISULFONIC ACID
2,6-NAPHTHALENEDISULPHONIC ACID
|
Systematic names
|
|
Formula
|
C10 H8 O6 S2
|
Formal charge
|
0
|
Molecular weight
|
288.297 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=S(=O)(O)c1ccc2c(c1)ccc(c2)S(=O)(=O)O |
SMILES
|
CACTVS |
3.341 |
O[S](=O)(=O)c1ccc2cc(ccc2c1)[S](O)(=O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc(cc2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O |
Canonical SMILES
|
CACTVS |
3.341 |
O[S](=O)(=O)c1ccc2cc(ccc2c1)[S](O)(=O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc(cc2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O |
|
IUPAC InChI | InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16) |
IUPAC InChI key | FITZJYAVATZPMJ-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
26 (18 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2004-08-11
|
Last modified at
|
2020-06-17
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|