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

Systemtic Name: 3-(2-carboxyethylsulfanyl)-2-oxidanyl-3-[3-(8-phenyloctyl)phenyl]propanoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)-2-hydroxy-3-[3-(8-phenyloctyl)phenyl]propanoic acid CAS Name: 3-(2-carboxyethylthio)-2-hydroxy-3-[3-(8-phenyloctyl)phenyl]propanoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)-2-hydroxy-3-[3-(8-phenyloctyl)phenyl]propanoic acid Traditional Name: 3-(2-carboxyethylthio)-2-hydroxy-3-[3-(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=C2)C(C(C(=O)O)O)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC(=CC=C2)C(C(C(=O)O)O)SCCC(=O)O

InChI

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