3-[3-(2-dodecylphenyl)propanoyloxysulfanyl]propanoic acid

Systemtic Name: 3-[3-(2-dodecylphenyl)propanoyloxysulfanyl]propanoic acid Openeye Name: 3-[3-(2-dodecylphenyl)propanoyloxysulfanyl]propanoic acid CAS Name: 3-[[3-(2-dodecylphenyl)-1-oxopropoxy]thio]propanoic acid IUPAC Name: 3-[3-(2-dodecylphenyl)propanoyloxysulfanyl]propanoic acid Traditional Name: 3-[3-(2-laurylphenyl)propanoyloxythio]propionic acid Formula: C24H38O4S MolecularWeight: 422.62112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1CCC(=O)OSCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1CCC(=O)OSCCC(=O)O

InChI

InChI=1S/C24H38O4S/c1-2-3-4-5-6-7-8-9-10-11-14-21-15-12-13-16-22(21)17-18-24(27)28-29-20-19-23(25)26/h12-13,15-16H,2-11,14,17-20H2,1H3,(H,25,26)