Chemical Components in the PDB

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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

ProgramVersionName
ACDLabs 10.04 naphthalene-2,6-disulfonic acid
OpenEye OEToolkits 1.5.0 naphthalene-2,6-disulfonic acid

Formula

C10 H8 O6 S2

Formal charge

0

Molecular weight

288.297 Da

SMILES

TypeProgramVersionDescriptor
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
BIH

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