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

Systemtic Name: 3-[2-carboxyethylsulfanyl-[2-(3-cyclohexylpropoxy)phenyl]methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl-[2-(3-cyclohexylpropoxy)phenyl]methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-[2-(3-cyclohexylpropoxy)phenyl]methyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl-[2-(3-cyclohexylpropoxy)phenyl]methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-[2-(3-cyclohexylpropoxy)phenyl]methyl]thio]propionic acid Formula: C22H32O5S2 MolecularWeight: 440.61648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCOC2=CC=CC=C2C(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

C1CCC(CC1)CCCOC2=CC=CC=C2C(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C22H32O5S2/c23-20(24)12-15-28-22(29-16-13-21(25)26)18-10-4-5-11-19(18)27-14-6-9-17-7-2-1-3-8-17/h4-5,10-11,17,22H,1-3,6-9,12-16H2,(H,23,24)(H,25,26)