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

Systemtic Name: [3,5-bis[[3,5-bis(bromomethyl)phenoxy]methyl]phenyl] hexadecane-1-sulfonate Openeye Name: [3,5-bis[[3,5-bis(bromomethyl)phenoxy]methyl]phenyl] hexadecane-1-sulfonate CAS Name: 1-hexadecanesulfonic acid IUPAC Name: [3,5-bis[[3,5-bis(bromomethyl)phenoxy]methyl]phenyl] hexadecane-1-sulfonate Traditional Name: hexadecane-1-sulfonic acid [3,5-bis[[3,5-bis(bromomethyl)phenoxy]methyl]phenyl] ester Formula: C40H54Br4O5S MolecularWeight: 966.53476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)OC1=CC(=CC(=C1)COC2=CC(=CC(=C2)CBr)CBr)COC3=CC(=CC(=C3)CBr)CBr

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)OC1=CC(=CC(=C1)COC2=CC(=CC(=C2)CBr)CBr)COC3=CC(=CC(=C3)CBr)CBr

InChI

InChI=1S/C40H54Br4O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-50(45,46)49-40-24-36(30-47-38-20-32(26-41)17-33(21-38)27-42)19-37(25-40)31-48-39-22-34(28-43)18-35(23-39)29-44/h17-25H,2-16,26-31H2,1H3