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

Systemtic Name: 3-[2-carboxyethylsulfanyl-[2-(8-cyclohexyloctyl)phenyl]methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl-[2-(8-cyclohexyloctyl)phenyl]methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-[2-(8-cyclohexyloctyl)phenyl]methyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl-[2-(8-cyclohexyloctyl)phenyl]methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-[2-(8-cyclohexyloctyl)phenyl]methyl]thio]propionic acid Formula: C27H42O4S2 MolecularWeight: 494.74998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42O4S2/c28-25(29)18-20-32-27(33-21-19-26(30)31)24-17-11-10-16-23(24)15-9-4-2-1-3-6-12-22-13-7-5-8-14-22/h10-11,16-17,22,27H,1-9,12-15,18-21H2,(H,28,29)(H,30,31)