O-[3-henicosanethioyloxy-2,2-bis(henicosanethioyloxymethyl)propyl] henicosanethioate

Systemtic Name: O-[3-henicosanethioyloxy-2,2-bis(henicosanethioyloxymethyl)propyl] henicosanethioate Openeye Name: O-[3-henicosanethioyloxy-2,2-bis(henicosanethioyloxymethyl)propyl] henicosanethioate CAS Name: heneicosanethioic acid O-[3-(1-sulfanylideneheneicosoxy)-2,2-bis(1-sulfanylideneheneicosoxymethyl)propyl] ester IUPAC Name: O-[3-henicosanethioyloxy-2,2-bis(henicosanethioyloxymethyl)propyl] henicosanethioate Traditional Name: heneicosanethioic acid O-[3-heneicosanethioyloxy-2,2-bis(heneicosanethioyloxymethyl)propyl] ester Formula: C89H172O4S4 MolecularWeight: 1434.57558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=S)OCC(COC(=S)CCCCCCCCCCCCCCCCCCCC)(COC(=S)CCCCCCCCCCCCCCCCCCCC)COC(=S)CCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(=S)OCC(COC(=S)CCCCCCCCCCCCCCCCCCCC)(COC(=S)CCCCCCCCCCCCCCCCCCCC)COC(=S)CCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C89H172O4S4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-85(94)90-81-89(82-91-86(95)78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,83-92-87(96)79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)84-93-88(97)80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-84H2,1-4H3