3-(2-carboxyethylsulfanyl)-3-[2-(8-cyclohexyloctyl)phenyl]propanoic acid

Systemtic Name: 3-(2-carboxyethylsulfanyl)-3-[2-(8-cyclohexyloctyl)phenyl]propanoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)-3-[2-(8-cyclohexyloctyl)phenyl]propanoic acid CAS Name: 3-(2-carboxyethylthio)-3-[2-(8-cyclohexyloctyl)phenyl]propanoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)-3-[2-(8-cyclohexyloctyl)phenyl]propanoic acid Traditional Name: 3-(2-carboxyethylthio)-3-[2-(8-cyclohexyloctyl)phenyl]propionic acid Formula: C26H40O4S MolecularWeight: 448.6584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCCCCCCC2=CC=CC=C2C(CC(=O)O)SCCC(=O)O

Isomeric SMILES

C1CCC(CC1)CCCCCCCCC2=CC=CC=C2C(CC(=O)O)SCCC(=O)O

InChI

InChI=1S/C26H40O4S/c27-25(28)18-19-31-24(20-26(29)30)23-17-11-10-16-22(23)15-9-4-2-1-3-6-12-21-13-7-5-8-14-21/h10-11,16-17,21,24H,1-9,12-15,18-20H2,(H,27,28)(H,29,30)