5-[11-(4-methylphenyl)sulfonyloxyundecylsulfanyl]pentanoic acid

Systemtic Name: 5-[11-(4-methylphenyl)sulfonyloxyundecylsulfanyl]pentanoic acid Openeye Name: 5-[11-(p-tolylsulfonyloxy)undecylsulfanyl]pentanoic acid CAS Name: 5-[11-(4-methylphenyl)sulfonyloxyundecylthio]pentanoic acid IUPAC Name: 5-[11-(4-methylphenyl)sulfonyloxyundecylsulfanyl]pentanoic acid Traditional Name: 5-(11-tosyloxyundecylthio)valeric acid Formula: C23H38O5S2 MolecularWeight: 458.67482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCCCSCCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCCCSCCCCC(=O)O

InChI

InChI=1S/C23H38O5S2/c1-21-14-16-22(17-15-21)30(26,27)28-18-10-7-5-3-2-4-6-8-11-19-29-20-12-9-13-23(24)25/h14-17H,2-13,18-20H2,1H3,(H,24,25)