O-[3-(2-methylicosanethioyloxy)-2,2-bis(2-methylicosanethioyloxymethyl)propyl] 2-methylicosanethioate

Systemtic Name: O-[3-(2-methylicosanethioyloxy)-2,2-bis(2-methylicosanethioyloxymethyl)propyl] 2-methylicosanethioate Openeye Name: O-[3-(2-methylicosanethioyloxy)-2,2-bis(2-methylicosanethioyloxymethyl)propyl] 2-methylicosanethioate CAS Name: 2-methyleicosanethioic acid O-[3-(2-methyl-1-sulfanylideneeicosoxy)-2,2-bis[(2-methyl-1-sulfanylideneeicosoxy)methyl]propyl] ester IUPAC Name: O-[3-(2-methylicosanethioyloxy)-2,2-bis(2-methylicosanethioyloxymethyl)propyl] 2-methylicosanethioate Traditional Name: 2-methyleicosanethioic acid O-[3-(2-methyleicosanethioyloxy)-2,2-bis(2-methyleicosanethioyloxymethyl)propyl] ester Formula: C89H172O4S4 MolecularWeight: 1434.57558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C)C(=S)OCC(COC(=S)C(C)CCCCCCCCCCCCCCCCCC)(COC(=S)C(C)CCCCCCCCCCCCCCCCCC)COC(=S)C(C)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C)C(=S)OCC(COC(=S)C(C)CCCCCCCCCCCCCCCCCC)(COC(=S)C(C)CCCCCCCCCCCCCCCCCC)COC(=S)C(C)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C89H172O4S4/c1-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-81(5)85(94)90-77-89(78-91-86(95)82(6)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-2,79-92-87(96)83(7)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-3)80-93-88(97)84(8)76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-4/h81-84H,9-80H2,1-8H3