O-(2-tert-butyl-5-methyl-phenyl) 5-[1-(2-tert-butyl-5-methyl-phenoxy)-4-ethyl-1-sulfanylidene-tridecan-5-yl]sulfanyl-4-ethyl-tridecanethioate

Systemtic Name: O-(2-tert-butyl-5-methyl-phenyl) 5-[1-(2-tert-butyl-5-methyl-phenoxy)-4-ethyl-1-sulfanylidene-tridecan-5-yl]sulfanyl-4-ethyl-tridecanethioate Openeye Name: O-(2-tert-butyl-5-methyl-phenyl) 5-[1-[4-(2-tert-butyl-5-methyl-phenoxy)-1-ethyl-4-thioxo-butyl]nonylsulfanyl]-4-ethyl-tridecanethioate CAS Name: 5-[[1-(2-tert-butyl-5-methylphenoxy)-4-ethyl-1-sulfanylidenetridecan-5-yl]thio]-4-ethyltridecanethioic acid O-(2-tert-butyl-5-methylphenyl) ester IUPAC Name: O-(2-tert-butyl-5-methylphenyl) 5-[1-(2-tert-butyl-5-methylphenoxy)-4-ethyl-1-sulfanylidenetridecan-5-yl]sulfanyl-4-ethyltridecanethioate Traditional Name: 5-[1-[4-(2-tert-butyl-5-methyl-phenoxy)-1-ethyl-4-thioxo-butyl]nonylthio]-4-ethyl-tridecanethioic acid O-(2-tert-butyl-5-methyl-phenyl) ester Formula: C52H86O2S3 MolecularWeight: 839.43304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CC)CCC(=S)OC1=C(C=CC(=C1)C)C(C)(C)C)SC(CCCCCCCC)C(CC)CCC(=S)OC2=C(C=CC(=C2)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCC(C(CC)CCC(=S)OC1=C(C=CC(=C1)C)C(C)(C)C)SC(CCCCCCCC)C(CC)CCC(=S)OC2=C(C=CC(=C2)C)C(C)(C)C

InChI

InChI=1S/C52H86O2S3/c1-13-17-19-21-23-25-27-47(41(15-3)31-35-49(55)53-45-37-39(5)29-33-43(45)51(7,8)9)57-48(28-26-24-22-20-18-14-2)42(16-4)32-36-50(56)54-46-38-40(6)30-34-44(46)52(10,11)12/h29-30,33-34,37-38,41-42,47-48H,13-28,31-32,35-36H2,1-12H3