7-[3-(2-methylnonan-2-yl)-2-oxidanyl-4-oxidanylidene-1,3-thiazolidin-3-ium-3-yl]heptanoic acid

Systemtic Name: 7-[3-(2-methylnonan-2-yl)-2-oxidanyl-4-oxidanylidene-1,3-thiazolidin-3-ium-3-yl]heptanoic acid Openeye Name: 7-[3-(1,1-dimethyloctyl)-2-hydroxy-4-oxo-thiazolidin-3-ium-3-yl]heptanoic acid CAS Name: 7-[2-hydroxy-3-(2-methylnonan-2-yl)-4-oxo-3-thiazolidin-3-iumyl]heptanoic acid IUPAC Name: 7-[2-hydroxy-3-(2-methylnonan-2-yl)-4-oxo-1,3-thiazolidin-3-ium-3-yl]heptanoic acid Traditional Name: 7-[3-(1,1-dimethyloctyl)-2-hydroxy-4-keto-thiazolidin-3-ium-3-yl]enanthic acid Formula: C20H38NO4S+ MolecularWeight: 388.58502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C)(C)[N+]1(C(SCC1=O)O)CCCCCCC(=O)O

Isomeric SMILES

CCCCCCCC(C)(C)[N+]1(C(SCC1=O)O)CCCCCCC(=O)O

InChI

InChI=1S/C20H37NO4S/c1-4-5-6-8-11-14-20(2,3)21(17(22)16-26-19(21)25)15-12-9-7-10-13-18(23)24/h19,25H,4-16H2,1-3H3/p+1