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

Systemtic Name: 4-[2-[3-[(2-ethyl-1,3-dithian-2-yl)sulfanyl]propylsulfanyl]butanoyl]benzoic acid Openeye Name: 4-[2-[3-[(2-ethyl-1,3-dithian-2-yl)sulfanyl]propylsulfanyl]butanoyl]benzoic acid CAS Name: 4-[2-[3-[(2-ethyl-1,3-dithian-2-yl)thio]propylthio]-1-oxobutyl]benzoic acid IUPAC Name: 4-[2-[3-[(2-ethyl-1,3-dithian-2-yl)sulfanyl]propylsulfanyl]butanoyl]benzoic acid Traditional Name: 4-[2-[3-[(2-ethyl-1,3-dithian-2-yl)thio]propylthio]butanoyl]benzoic acid Formula: C20H28O3S4 MolecularWeight: 444.69452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28O3S4/c1-3-17(18(21)15-7-9-16(10-8-15)19(22)23)24-11-5-12-25-20(4-2)26-13-6-14-27-20/h7-10,17H,3-6,11-14H2,1-2H3,(H,22,23)