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

Systemtic Name: 4-[2-[3-[(2-butyl-1,3-dithian-2-yl)sulfanyl]propylsulfanyl]hexanoyl]benzoic acid Openeye Name: 4-[2-[3-[(2-butyl-1,3-dithian-2-yl)sulfanyl]propylsulfanyl]hexanoyl]benzoic acid CAS Name: 4-[2-[3-[(2-butyl-1,3-dithian-2-yl)thio]propylthio]-1-oxohexyl]benzoic acid IUPAC Name: 4-[2-[3-[(2-butyl-1,3-dithian-2-yl)sulfanyl]propylsulfanyl]hexanoyl]benzoic acid Traditional Name: 4-[2-[3-[(2-butyl-1,3-dithian-2-yl)thio]propylthio]hexanoyl]benzoic acid Formula: C24H36O3S4 MolecularWeight: 500.80084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C1=CC=C(C=C1)C(=O)O)SCCCSC2(SCCCS2)CCCC

Isomeric SMILES

CCCCC(C(=O)C1=CC=C(C=C1)C(=O)O)SCCCSC2(SCCCS2)CCCC

InChI

InChI=1S/C24H36O3S4/c1-3-5-9-21(22(25)19-10-12-20(13-11-19)23(26)27)28-15-7-16-29-24(14-6-4-2)30-17-8-18-31-24/h10-13,21H,3-9,14-18H2,1-2H3,(H,26,27)