3-[2-oxidanyl-2-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-oxidanyl-2-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-hydroxy-2-oxo-1-[2-(8-phenyloctyl)phenyl]ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-hydroxy-2-oxo-1-[2-(8-phenyloctyl)phenyl]ethyl]thio]propanoic acid IUPAC Name: 3-[2-hydroxy-2-oxo-1-[2-(8-phenyloctyl)phenyl]ethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-hydroxy-2-keto-1-[2-(8-phenyloctyl)phenyl]ethyl]thio]propionic acid Formula: C25H32O4S MolecularWeight: 428.58418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32O4S/c26-23(27)18-19-30-24(25(28)29)22-17-11-10-16-21(22)15-9-4-2-1-3-6-12-20-13-7-5-8-14-20/h5,7-8,10-11,13-14,16-17,24H,1-4,6,9,12,15,18-19H2,(H,26,27)(H,28,29)