O-[3-icosanethioyloxy-2,2-bis(icosanethioyloxymethyl)propyl] icosanethioate

Systemtic Name: O-[3-icosanethioyloxy-2,2-bis(icosanethioyloxymethyl)propyl] icosanethioate Openeye Name: O-[3-icosanethioyloxy-2,2-bis(icosanethioyloxymethyl)propyl] icosanethioate CAS Name: eicosanethioic acid O-[3-(1-sulfanylideneeicosoxy)-2,2-bis(1-sulfanylideneeicosoxymethyl)propyl] ester IUPAC Name: O-[3-icosanethioyloxy-2,2-bis(icosanethioyloxymethyl)propyl] icosanethioate Traditional Name: eicosanethioic acid O-[3-eicosanethioyloxy-2,2-bis(eicosanethioyloxymethyl)propyl] ester Formula: C85H164O4S4 MolecularWeight: 1378.46926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=S)OCC(COC(=S)CCCCCCCCCCCCCCCCCCC)(COC(=S)CCCCCCCCCCCCCCCCCCC)COC(=S)CCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=S)OCC(COC(=S)CCCCCCCCCCCCCCCCCCC)(COC(=S)CCCCCCCCCCCCCCCCCCC)COC(=S)CCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C85H164O4S4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-81(90)86-77-85(78-87-82(91)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,79-88-83(92)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)80-89-84(93)76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-80H2,1-4H3