5-(2-carboxyethylsulfanyl)-5-(2-dodecylphenyl)-4-oxidanyl-pentanoic acid

Systemtic Name: 5-(2-carboxyethylsulfanyl)-5-(2-dodecylphenyl)-4-oxidanyl-pentanoic acid Openeye Name: 5-(2-carboxyethylsulfanyl)-5-(2-dodecylphenyl)-4-hydroxy-pentanoic acid CAS Name: 5-(2-carboxyethylthio)-5-(2-dodecylphenyl)-4-hydroxypentanoic acid IUPAC Name: 5-(2-carboxyethylsulfanyl)-5-(2-dodecylphenyl)-4-hydroxypentanoic acid Traditional Name: 5-(2-carboxyethylthio)-4-hydroxy-5-(2-laurylphenyl)valeric acid Formula: C26H42O5S MolecularWeight: 466.67368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C(CCC(=O)O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C(CCC(=O)O)O)SCCC(=O)O

InChI

InChI=1S/C26H42O5S/c1-2-3-4-5-6-7-8-9-10-11-14-21-15-12-13-16-22(21)26(32-20-19-25(30)31)23(27)17-18-24(28)29/h12-13,15-16,23,26-27H,2-11,14,17-20H2,1H3,(H,28,29)(H,30,31)