[3,5-bis[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl] hexadecane-1-sulfonate

Systemtic Name: [3,5-bis[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl] hexadecane-1-sulfonate Openeye Name: [3,5-bis[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl] hexadecane-1-sulfonate CAS Name: 1-hexadecanesulfonic acid IUPAC Name: [3,5-bis[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl] hexadecane-1-sulfonate Traditional Name: hexadecane-1-sulfonic acid [3,5-bis[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl] ester Formula: C64H74O9S MolecularWeight: 1019.33196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)OC1=CC(=CC(=C1)COC2=CC(=CC(=C2)COC3=CC=CC=C3)COC4=CC=CC=C4)COC5=CC(=CC(=C5)COC6=CC=CC=C6)COC7=CC=CC=C7

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)OC1=CC(=CC(=C1)COC2=CC(=CC(=C2)COC3=CC=CC=C3)COC4=CC=CC=C4)COC5=CC(=CC(=C5)COC6=CC=CC=C6)COC7=CC=CC=C7

InChI

InChI=1S/C64H74O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-36-74(65,66)73-64-44-56(50-71-62-40-52(46-67-58-28-19-15-20-29-58)37-53(41-62)47-68-59-30-21-16-22-31-59)39-57(45-64)51-72-63-42-54(48-69-60-32-23-17-24-33-60)38-55(43-63)49-70-61-34-25-18-26-35-61/h15-26,28-35,37-45H,2-14,27,36,46-51H2,1H3