3-[2-carboxyethylsulfanyl-[2-(6-phenylhexoxy)phenyl]methyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-carboxyethylsulfanyl-[2-(6-phenylhexoxy)phenyl]methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl-[2-(6-phenylhexoxy)phenyl]methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-[2-(6-phenylhexoxy)phenyl]methyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl-[2-(6-phenylhexoxy)phenyl]methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-[2-(6-phenylhexoxy)phenyl]methyl]thio]propionic acid Formula: C25H32O5S2 MolecularWeight: 476.64858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCOC2=CC=CC=C2C(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCOC2=CC=CC=C2C(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C25H32O5S2/c26-23(27)15-18-31-25(32-19-16-24(28)29)21-13-7-8-14-22(21)30-17-9-2-1-4-10-20-11-5-3-6-12-20/h3,5-8,11-14,25H,1-2,4,9-10,15-19H2,(H,26,27)(H,28,29)