7-[3-(heptylsulfinylmethyl)-7-thiabicyclo[2.2.1]heptan-2-yl]heptanoic acid

Systemtic Name: 7-[3-(heptylsulfinylmethyl)-7-thiabicyclo[2.2.1]heptan-2-yl]heptanoic acid Openeye Name: 7-[3-(heptylsulfinylmethyl)-7-thiabicyclo[2.2.1]heptan-2-yl]heptanoic acid CAS Name: 7-[3-(heptylsulfinylmethyl)-7-thiabicyclo[2.2.1]heptan-2-yl]heptanoic acid IUPAC Name: 7-[3-(heptylsulfinylmethyl)-7-thiabicyclo[2.2.1]heptan-2-yl]heptanoic acid Traditional Name: 7-[3-(heptylsulfinylmethyl)-7-thiabicyclo[2.2.1]heptan-2-yl]enanthic acid Formula: C21H38O3S2 MolecularWeight: 402.65462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCS(=O)CC1C2CCC(C1CCCCCCC(=O)O)S2

Isomeric SMILES

CCCCCCCS(=O)CC1C2CCC(C1CCCCCCC(=O)O)S2

InChI

InChI=1S/C21H38O3S2/c1-2-3-4-7-10-15-26(24)16-18-17(19-13-14-20(18)25-19)11-8-5-6-9-12-21(22)23/h17-20H,2-16H2,1H3,(H,22,23)