O1,O11-diphenyl 4,8-diethyl-5,7-dioctyl-undecanebis(thioate)

Systemtic Name: O1,O11-diphenyl 4,8-diethyl-5,7-dioctyl-undecanebis(thioate) Openeye Name: O1,O11-diphenyl 4,8-diethyl-5,7-dioctyl-undecanebis(thioate) CAS Name: 4,8-diethyl-5,7-dioctylundecanebis(thioic acid) O1,O11-diphenyl ester IUPAC Name: 1-O,11-O-diphenyl 4,8-diethyl-5,7-dioctylundecanebis(thioate) Traditional Name: 4,8-diethyl-5,7-dioctyl-undecanebis(thioic acid) O1,O11-diphenyl ester Formula: C43H68O2S2 MolecularWeight: 681.12882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(CCCCCCCC)C(CC)CCC(=S)OC1=CC=CC=C1)C(CC)CCC(=S)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC(CC(CCCCCCCC)C(CC)CCC(=S)OC1=CC=CC=C1)C(CC)CCC(=S)OC2=CC=CC=C2

InChI

InChI=1S/C43H68O2S2/c1-5-9-11-13-15-19-25-38(36(7-3)31-33-42(46)44-40-27-21-17-22-28-40)35-39(26-20-16-14-12-10-6-2)37(8-4)32-34-43(47)45-41-29-23-18-24-30-41/h17-18,21-24,27-30,36-39H,5-16,19-20,25-26,31-35H2,1-4H3