O-[1-(7-butylundecanethioyloxy)butyl] 7-butylundecanethioate; methane; O-methyl 7-butylundecanethioate

Systemtic Name: O-[1-(7-butylundecanethioyloxy)butyl] 7-butylundecanethioate; methane; O-methyl 7-butylundecanethioate Openeye Name: O-[1-(7-butylundecanethioyloxy)butyl] 7-butylundecanethioate; methane; O-methyl 7-butylundecanethioate CAS Name: 7-butylundecanethioic acid O-[1-(7-butyl-1-sulfanylideneundecoxy)butyl] ester; 7-butylundecanethioic acid O-methyl ester; methane IUPAC Name: O-[1-(7-butylundecanethioyloxy)butyl] 7-butylundecanethioate; methane; O-methyl 7-butylundecanethioate Traditional Name: 7-butylundecanethioic acid O-[1-(7-butylundecanethioyloxy)butyl] ester; 7-butylundecanethioic acid O-methyl ester; methane Formula: C51H102O3S3 MolecularWeight: 859.54878

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Descriptors Computed from Structure

Canonical SMILES:

C.CCCCC(CCCC)CCCCCC(=S)OC.CCCCC(CCCC)CCCCCC(=S)OC(CCC)OC(=S)CCCCCC(CCCC)CCCC

Isomeric SMILES

C.CCCCC(CCCC)CCCCCC(=S)OC.CCCCC(CCCC)CCCCCC(=S)OC(CCC)OC(=S)CCCCCC(CCCC)CCCC

InChI

InChI=1S/C34H66O2S2.C16H32OS.CH4/c1-6-11-22-30(23-12-7-2)26-17-15-19-28-33(37)35-32(21-10-5)36-34(38)29-20-16-18-27-31(24-13-8-3)25-14-9-4;1-4-6-11-15(12-7-5-2)13-9-8-10-14-16(18)17-3;/h30-32H,6-29H2,1-5H3;15H,4-14H2,1-3H3;1H4