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

Systemtic Name: (3S)-3-(2-carboxyethylsulfanyl)-3-[3-(8-phenyloctyl)phenyl]propanoic acid Openeye Name: (3S)-3-(2-carboxyethylsulfanyl)-3-[3-(8-phenyloctyl)phenyl]propanoic acid CAS Name: (3S)-3-(2-carboxyethylthio)-3-[3-(8-phenyloctyl)phenyl]propanoic acid IUPAC Name: (3S)-3-(2-carboxyethylsulfanyl)-3-[3-(8-phenyloctyl)phenyl]propanoic acid Traditional Name: (3S)-3-(2-carboxyethylthio)-3-[3-(8-phenyloctyl)phenyl]propionic acid Formula: C26H34O4S MolecularWeight: 442.61076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC(=CC=C2)[C@H](CC(=O)O)SCCC(=O)O

InChI

InChI=1S/C26H34O4S/c27-25(28)17-18-31-24(20-26(29)30)23-16-10-15-22(19-23)14-7-4-2-1-3-6-11-21-12-8-5-9-13-21/h5,8-10,12-13,15-16,19,24H,1-4,6-7,11,14,17-18,20H2,(H,27,28)(H,29,30)/t24-/m0/s1