Vitas-M small molecule compound

dihexadecyl biphenyl-4,4'-dicarboxylate

Catalog ID
STK681633
SMILES CCCCCCCCCCCCCCCCOC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)OCCCCCCCCCCCCCCCC

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C46H74O4 MW 691.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39-49-45(47)43-35-31-41(32-36-43)42-33-37-44(38-34-42)46(48)50-40-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-38H,3-30,39-40H2,1-2H3
InChIKey
WUDKOIAFGOAZTJ-UHFFFAOYSA-N
Synonyms

CCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCCCCCCCCCCCCCCC
dihexadecylbiphenyl44dicarboxylate
HEXADECYL4(4(HEXADECYLOXYCARBONYL)PHENYL)BENZOATE
HEXADECYL4(4HEXADECOXYCARBONYLPHENYL)BENZOATE
InChI=1SC46H74O4c1357911131517192123252729394945(47)43353141(323643)42333744(383442)46(48)504030282624222018161412108642h3138H3303940H212H3
MFCD03819417
ZINC000098005227
ZINC98005227

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.