2,2', 2"-[1,3,5-Triazine-2,4,6-triyltris-(thio)]tris dodecanoic acid

HCID 67893990
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Basic information

Standard SMILES
CCCCCCCCCCC(Sc1nc(SC(CCCCCCCCCC)C(=O)O)nc(SC(CCCCCCCCCC)C(=O)O)n1)C(=O)O
InChIKey
ANIOWRPWACWXQJ-UHFFFAOYSA-N
Molecular formula
C39H69N3O6S3
Average molar mass
772.2 g/mol

Names & identifiers

Preferred name
2,2', 2"-[1,3,5-Triazine-2,4,6-triyltris-(thio)]tris dodecanoic acid
IUPAC
2-[[4,6-bis(1-carboxyundecylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]dodecanoic acid

Names & synonyms

SCHEMBL9618706ANIOWRPWACWXQJ-UHFFFAOYSA-N2,2', 2"-[1,3,5-triazine-2,4,6-triyltris-(thio)]tris dodecanoic acid

Database identifiers

PubChem CID
67893990

Properties

Computed structural properties

XLogP
16.5
Topological polar surface area
226 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
12
Rotatable bonds
36
Heavy atoms
51

Related reactions

1 records
New reaction record

Linked notes

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