ditetradecyl 4,11-bis(sulfanylidene)tetradecanedioate; dodecyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: ditetradecyl 4,11-bis(sulfanylidene)tetradecanedioate; dodecyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: ditetradecyl 4,11-dithioxotetradecanedioate; dodecyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid dodecyl ester; 4,11-bis(sulfanylidene)tetradecanedioic acid ditetradecyl ester IUPAC Name: ditetradecyl 4,11-bis(sulfanylidene)tetradecanedioate; dodecyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid lauryl ester; 4,11-dithioxotetradecanedioic acid dimyristyl ester Formula: C64H111NO6S4 MolecularWeight: 1118.82924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)CCC(=S)CCCCCCC(=S)CCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCOC(=O)CCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)CCC(=S)CCCCCCC(=S)CCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCOC(=O)CCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C42H78O4S2.C22H33NO2S2/c1-3-5-7-9-11-13-15-17-19-21-25-29-37-45-41(43)35-33-39(47)31-27-23-24-28-32-40(48)34-36-42(44)46-38-30-26-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-13-17-25-21(24)16-18-26-22-23-19-14-11-12-15-20(19)27-22/h3-38H2,1-2H3;11-12,14-15H,2-10,13,16-18H2,1H3