O-[1-(4,4-dimethyltridecanethioyloxy)butyl] 4,4-dimethyltridecanethioate; methane; methanol

Systemtic Name: O-[1-(4,4-dimethyltridecanethioyloxy)butyl] 4,4-dimethyltridecanethioate; methane; methanol Openeye Name: O-[1-(4,4-dimethyltridecanethioyloxy)butyl] 4,4-dimethyltridecanethioate; methane; methanol CAS Name: 4,4-dimethyltridecanethioic acid O-[1-(4,4-dimethyl-1-sulfanylidenetridecoxy)butyl] ester; methane; methanol IUPAC Name: O-[1-(4,4-dimethyltridecanethioyloxy)butyl] 4,4-dimethyltridecanethioate; methane; methanol Traditional Name: 4,4-dimethyltridecanethioic acid O-[1-(4,4-dimethyltridecanethioyloxy)butyl] ester; methane; methanol Formula: C36H74O3S2 MolecularWeight: 619.10096

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Descriptors Computed from Structure

Canonical SMILES:

C.CCCCCCCCCC(C)(C)CCC(=S)OC(CCC)OC(=S)CCC(C)(C)CCCCCCCCC.CO

Isomeric SMILES

C.CCCCCCCCCC(C)(C)CCC(=S)OC(CCC)OC(=S)CCC(C)(C)CCCCCCCCC.CO

InChI

InChI=1S/C34H66O2S2.CH4O.CH4/c1-8-11-13-15-17-19-21-26-33(4,5)28-24-31(37)35-30(23-10-3)36-32(38)25-29-34(6,7)27-22-20-18-16-14-12-9-2;1-2;/h30H,8-29H2,1-7H3;2H,1H3;1H4