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

Systemtic Name: (2S)-2-(2-carboxyethylsulfanyl)-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Openeye Name: (2S)-2-(2-carboxyethylsulfanyl)-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid CAS Name: (2S)-2-(2-carboxyethylthio)-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid IUPAC Name: (2S)-2-(2-carboxyethylsulfanyl)-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid Traditional Name: (2S)-2-(2-carboxyethylthio)-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propionic acid Formula: C26H34O5S MolecularWeight: 458.61016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2CC(C(=O)O)(O)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C[C@](C(=O)O)(O)SCCC(=O)O

InChI

InChI=1S/C26H34O5S/c27-24(28)18-19-32-26(31,25(29)30)20-23-17-11-10-16-22(23)15-9-4-2-1-3-6-12-21-13-7-5-8-14-21/h5,7-8,10-11,13-14,16-17,31H,1-4,6,9,12,15,18-20H2,(H,27,28)(H,29,30)/t26-/m0/s1