3-(carboxymethylsulfanyl)-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid

Systemtic Name: 3-(carboxymethylsulfanyl)-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Openeye Name: 3-(carboxymethylsulfanyl)-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid CAS Name: 3-(carboxymethylthio)-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid IUPAC Name: 3-(carboxymethylsulfanyl)-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid Traditional Name: 3-(carboxymethylthio)-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propionic acid Formula: C25H32O5S MolecularWeight: 444.58358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(C(C(=O)O)O)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(C(C(=O)O)O)SCC(=O)O

InChI

InChI=1S/C25H32O5S/c26-22(27)18-31-24(23(28)25(29)30)21-17-11-10-16-20(21)15-9-4-2-1-3-6-12-19-13-7-5-8-14-19/h5,7-8,10-11,13-14,16-17,23-24,28H,1-4,6,9,12,15,18H2,(H,26,27)(H,29,30)