Chelist HOME
Search all list by Chemical ID
Search all list by Chemical Structure
Find the overlap between selected chemical list
Combine chemical list into a custom list
Chelist Moleculee
cas:14166-21-3
einecs:238-009-9
smiles:OC(=O)[C@@H]1CCCC[C@H]1C(=O)OC(=O)[C@H]2CCCC[C@@H]2C(=O)O
name:trans-cyclohexane-1,2-dicarboxylic anhydride
MW:326.3417
formula:C16H22O7
InChi:
InChiKey:
SMARTS:
Other names
trans-cyclohexane-1,2-dicarboxylic anhydride

Search by similarity
Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

REACH PRS (143825): ECHA list of pre-registered substances (Regulatory)
REACH SVHC (195): Candidate List of Substances of Very High Concern (Regulatory)