3-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid

Systemtic Name: 3-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Openeye Name: 3-(3-ethoxy-3-oxo-propyl)sulfanyl-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid CAS Name: 3-[(3-ethoxy-3-oxopropyl)thio]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid IUPAC Name: 3-(3-ethoxy-3-oxopropyl)sulfanyl-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid Traditional Name: 3-[(3-ethoxy-3-keto-propyl)thio]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propionic acid Formula: C28H38O5S MolecularWeight: 486.66332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)C(C(=O)O)O

Isomeric SMILES

CCOC(=O)CCSC(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)C(C(=O)O)O

InChI

InChI=1S/C28H38O5S/c1-2-33-25(29)20-21-34-27(26(30)28(31)32)24-19-13-12-18-23(24)17-11-6-4-3-5-8-14-22-15-9-7-10-16-22/h7,9-10,12-13,15-16,18-19,26-27,30H,2-6,8,11,14,17,20-21H2,1H3,(H,31,32)