4-[2-[3-[(2-hexyl-1,3-dithian-2-yl)sulfanyl]propylsulfanyl]octanoyl]benzoic acid

Systemtic Name: 4-[2-[3-[(2-hexyl-1,3-dithian-2-yl)sulfanyl]propylsulfanyl]octanoyl]benzoic acid Openeye Name: 4-[2-[3-[(2-hexyl-1,3-dithian-2-yl)sulfanyl]propylsulfanyl]octanoyl]benzoic acid CAS Name: 4-[2-[3-[(2-hexyl-1,3-dithian-2-yl)thio]propylthio]-1-oxooctyl]benzoic acid IUPAC Name: 4-[2-[3-[(2-hexyl-1,3-dithian-2-yl)sulfanyl]propylsulfanyl]octanoyl]benzoic acid Traditional Name: 4-[2-[3-[(2-hexyl-1,3-dithian-2-yl)thio]propylthio]octanoyl]benzoic acid Formula: C28H44O3S4 MolecularWeight: 556.90716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)C1=CC=C(C=C1)C(=O)O)SCCCSC2(SCCCS2)CCCCCC

Isomeric SMILES

CCCCCCC(C(=O)C1=CC=C(C=C1)C(=O)O)SCCCSC2(SCCCS2)CCCCCC

InChI

InChI=1S/C28H44O3S4/c1-3-5-7-9-13-25(26(29)23-14-16-24(17-15-23)27(30)31)32-19-11-20-33-28(18-10-8-6-4-2)34-21-12-22-35-28/h14-17,25H,3-13,18-22H2,1-2H3,(H,30,31)