docosyl 2-[[5-(2-oxidanylidenetetracosylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: docosyl 2-[[5-(2-oxidanylidenetetracosylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: docosyl 2-[[5-(2-oxotetracosylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-oxotetracosylthio)-1,3,4-thiadiazol-2-yl]thio]acetic acid docosyl ester IUPAC Name: docosyl 2-[[5-(2-oxotetracosylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2-ketotetracosylthio)-1,3,4-thiadiazol-2-yl]thio]acetic acid behenyl ester Formula: C50H94N2O3S3 MolecularWeight: 867.48796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC(=O)CSC1=NN=C(S1)SCC(=O)OCCCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC(=O)CSC1=NN=C(S1)SCC(=O)OCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C50H94N2O3S3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-47(53)45-56-49-51-52-50(58-49)57-46-48(54)55-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-46H2,1-2H3