O-[3-docosanethioyloxy-2,2-bis(docosanethioyloxymethyl)propyl] docosanethioate

Systemtic Name: O-[3-docosanethioyloxy-2,2-bis(docosanethioyloxymethyl)propyl] docosanethioate Openeye Name: O-[3-docosanethioyloxy-2,2-bis(docosanethioyloxymethyl)propyl] docosanethioate CAS Name: docosanethioic acid O-[3-(1-sulfanylidenedocosoxy)-2,2-bis(1-sulfanylidenedocosoxymethyl)propyl] ester IUPAC Name: O-[3-docosanethioyloxy-2,2-bis(docosanethioyloxymethyl)propyl] docosanethioate Traditional Name: docosanethioic acid O-[3-docosanethioyloxy-2,2-bis(docosanethioyloxymethyl)propyl] ester Formula: C93H180O4S4 MolecularWeight: 1490.6819

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=S)OCC(COC(=S)CCCCCCCCCCCCCCCCCCCCC)(COC(=S)CCCCCCCCCCCCCCCCCCCCC)COC(=S)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=S)OCC(COC(=S)CCCCCCCCCCCCCCCCCCCCC)(COC(=S)CCCCCCCCCCCCCCCCCCCCC)COC(=S)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C93H180O4S4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-89(98)94-85-93(86-95-90(99)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,87-96-91(100)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)88-97-92(101)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-88H2,1-4H3