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

Systemtic Name: 4-[2-[3-[(2-propyl-1,3-dithian-2-yl)sulfanyl]propylsulfanyl]pentanoyl]benzoic acid Openeye Name: 4-[2-[3-[(2-propyl-1,3-dithian-2-yl)sulfanyl]propylsulfanyl]pentanoyl]benzoic acid CAS Name: 4-[1-oxo-2-[3-[(2-propyl-1,3-dithian-2-yl)thio]propylthio]pentyl]benzoic acid IUPAC Name: 4-[2-[3-[(2-propyl-1,3-dithian-2-yl)sulfanyl]propylsulfanyl]pentanoyl]benzoic acid Traditional Name: 4-[2-[3-[(2-propyl-1,3-dithian-2-yl)thio]propylthio]pentanoyl]benzoic acid Formula: C22H32O3S4 MolecularWeight: 472.74768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32O3S4/c1-3-7-19(20(23)17-8-10-18(11-9-17)21(24)25)26-13-5-14-27-22(12-4-2)28-15-6-16-29-22/h8-11,19H,3-7,12-16H2,1-2H3,(H,24,25)