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4-[2-[3-[(2-pentyl-1,3-dithian-2-yl)sulfanyl]propylsulfanyl]heptanoyl]benzoic acid
4-[2-[3-[(2-pentyl-1,3-dithian-2-yl)sulfanyl]propylsulfanyl]heptanoyl]benzoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCC(C(=O)C1=CC=C(C=C1)C(=O)O)SCCCSC2(SCCCS2)CCCCC
Isomeric SMILES
CCCCCC(C(=O)C1=CC=C(C=C1)C(=O)O)SCCCSC2(SCCCS2)CCCCC
InChI
InChI=1S/C26H40O3S4/c1-3-5-7-11-23(24(27)21-12-14-22(15-13-21)25(28)29)30-17-9-18-31-26(16-8-6-4-2)32-19-10-20-33-26/h12-15,23H,3-11,16-20H2,1-2H3,(H,28,29)
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