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

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

Systemtic Name:3-[3-[2-(8-phenyloctyl)phenyl]propanoyloxysulfanyl]propanoic acid
Openeye Name:3-[3-[2-(8-phenyloctyl)phenyl]propanoyloxysulfanyl]propanoic acid
CAS Name:3-[[1-oxo-3-[2-(8-phenyloctyl)phenyl]propoxy]thio]propanoic acid
IUPAC Name:3-[3-[2-(8-phenyloctyl)phenyl]propanoyloxysulfanyl]propanoic acid
Traditional Name:3-[3-[2-(8-phenyloctyl)phenyl]propanoyloxythio]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=C2CCC(=O)OSCCC(=O)O


Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2CCC(=O)OSCCC(=O)O


InChI

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


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