dodecyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate; 2-[6-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanylhexylsulfanylmethyl]-2-tetradecyl-hexadecanoate

Systemtic Name: dodecyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate; 2-[6-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanylhexylsulfanylmethyl]-2-tetradecyl-hexadecanoate Openeye Name: dodecyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate; 2-[6-(3-oxido-3-oxo-propyl)sulfanylhexylsulfanylmethyl]-2-tetradecyl-hexadecanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid dodecyl ester; 2-[[6-[(3-oxido-3-oxopropyl)thio]hexylthio]methyl]-2-tetradecylhexadecanoate IUPAC Name: dodecyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate; 2-[6-(3-oxido-3-oxopropyl)sulfanylhexylsulfanylmethyl]-2-tetradecylhexadecanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid lauryl ester; 2-[[6-[(3-keto-3-oxido-propyl)thio]hexylthio]methyl]-2-myristyl-palmitate Formula: C62H109NO6S4-2 MolecularWeight: 1092.79196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)(CSCCCCCCSCCC(=O)[O-])C(=O)[O-].CCCCCCCCCCCCOC(=O)CCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)(CSCCCCCCSCCC(=O)[O-])C(=O)[O-].CCCCCCCCCCCCOC(=O)CCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C40H78O4S2.C22H33NO2S2/c1-3-5-7-9-11-13-15-17-19-21-23-27-32-40(39(43)44,33-28-24-22-20-18-16-14-12-10-8-6-4-2)37-46-35-30-26-25-29-34-45-36-31-38(41)42;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/h3-37H2,1-2H3,(H,41,42)(H,43,44);11-12,14-15H,2-10,13,16-18H2,1H3/p-2