2-[4-[bis(dodecylsulfanyl)methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[bis(dodecylsulfanyl)methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[bis(dodecylsulfanyl)methyl]phenoxy]acetic acid CAS Name: 2-[4-[bis(dodecylthio)methyl]phenoxy]acetic acid IUPAC Name: 2-[4-[bis(dodecylsulfanyl)methyl]phenoxy]acetic acid Traditional Name: 2-[4-[bis(laurylthio)methyl]phenoxy]acetic acid Formula: C33H58O3S2 MolecularWeight: 566.94182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(C1=CC=C(C=C1)OCC(=O)O)SCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCSC(C1=CC=C(C=C1)OCC(=O)O)SCCCCCCCCCCCC

InChI

InChI=1S/C33H58O3S2/c1-3-5-7-9-11-13-15-17-19-21-27-37-33(30-23-25-31(26-24-30)36-29-32(34)35)38-28-22-20-18-16-14-12-10-8-6-4-2/h23-26,33H,3-22,27-29H2,1-2H3,(H,34,35)