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

Systemtic Name: 5-(2-carboxyethylsulfanyl)-5-(2-dodecylphenyl)-4-sulfinyl-pentanoic acid Openeye Name: 5-(2-carboxyethylsulfanyl)-5-(2-dodecylphenyl)-4-sulfinyl-pentanoic acid CAS Name: 5-(2-carboxyethylthio)-5-(2-dodecylphenyl)-4-sulfinylpentanoic acid IUPAC Name: 5-(2-carboxyethylsulfanyl)-5-(2-dodecylphenyl)-4-sulfinylpentanoic acid Traditional Name: 5-(2-carboxyethylthio)-5-(2-laurylphenyl)-4-sulfinyl-valeric acid Formula: C26H40O5S2 MolecularWeight: 496.7228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40O5S2/c1-2-3-4-5-6-7-8-9-10-11-14-21-15-12-13-16-22(21)26(32-20-19-25(29)30)23(33-31)17-18-24(27)28/h12-13,15-16,26H,2-11,14,17-20H2,1H3,(H,27,28)(H,29,30)