3-[[(3R)-1-(2-carboxyethylsulfanyl)-3-undecyl-2,3-dihydroinden-1-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[(3R)-1-(2-carboxyethylsulfanyl)-3-undecyl-2,3-dihydroinden-1-yl]sulfanyl]propanoic acid Openeye Name: 3-[(3R)-1-(2-carboxyethylsulfanyl)-3-undecyl-indan-1-yl]sulfanylpropanoic acid CAS Name: 3-[[(3R)-1-(2-carboxyethylthio)-3-undecyl-2,3-dihydroinden-1-yl]thio]propanoic acid IUPAC Name: 3-[[(3R)-1-(2-carboxyethylsulfanyl)-3-undecyl-2,3-dihydroinden-1-yl]sulfanyl]propanoic acid Traditional Name: 3-[[(3R)-1-(2-carboxyethylthio)-3-undecyl-indan-1-yl]thio]propionic acid Formula: C26H40O4S2 MolecularWeight: 480.7234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1CC(C2=CC=CC=C12)(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCC[C@@H]1CC(C2=CC=CC=C12)(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C26H40O4S2/c1-2-3-4-5-6-7-8-9-10-13-21-20-26(31-18-16-24(27)28,32-19-17-25(29)30)23-15-12-11-14-22(21)23/h11-12,14-15,21H,2-10,13,16-20H2,1H3,(H,27,28)(H,29,30)/t21-/m1/s1