3,5-bis(2-butylsulfanylcarbothioylsulfanylpropanoyloxy)benzoic acid

Systemtic Name: 3,5-bis(2-butylsulfanylcarbothioylsulfanylpropanoyloxy)benzoic acid Openeye Name: 3,5-bis(2-butylsulfanylcarbothioylsulfanylpropanoyloxy)benzoic acid CAS Name: 3,5-bis[2-[[(butylthio)-sulfanylidenemethyl]thio]-1-oxopropoxy]benzoic acid IUPAC Name: 3,5-bis(2-butylsulfanylcarbothioylsulfanylpropanoyloxy)benzoic acid Traditional Name: 3,5-bis[2-[(butylthio)carbothioylthio]propanoyloxy]benzoic acid Formula: C23H30O6S6 MolecularWeight: 594.8707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=S)SC(C)C(=O)OC1=CC(=CC(=C1)C(=O)O)OC(=O)C(C)SC(=S)SCCCC

Isomeric SMILES

CCCCSC(=S)SC(C)C(=O)OC1=CC(=CC(=C1)C(=O)O)OC(=O)C(C)SC(=S)SCCCC

InChI

InChI=1S/C23H30O6S6/c1-5-7-9-32-22(30)34-14(3)20(26)28-17-11-16(19(24)25)12-18(13-17)29-21(27)15(4)35-23(31)33-10-8-6-2/h11-15H,5-10H2,1-4H3,(H,24,25)