4-octyl-2-(5-octyl-2-oxidanidyl-phenyl)sulfanyl-phenolate

Systemtic Name: 4-octyl-2-(5-octyl-2-oxidanidyl-phenyl)sulfanyl-phenolate Openeye Name: 4-octyl-2-(5-octyl-2-oxido-phenyl)sulfanyl-phenolate CAS Name: 4-octyl-2-[(5-octyl-2-oxidophenyl)thio]phenolate IUPAC Name: 4-octyl-2-(5-octyl-2-oxidophenyl)sulfanylphenolate Traditional Name: 4-octyl-2-[(5-octyl-2-oxido-phenyl)thio]phenolate Formula: C28H40O2S-2 MolecularWeight: 440.681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)[O-])SC2=C(C=CC(=C2)CCCCCCCC)[O-]

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)[O-])SC2=C(C=CC(=C2)CCCCCCCC)[O-]

InChI

InChI=1S/C28H42O2S/c1-3-5-7-9-11-13-15-23-17-19-25(29)27(21-23)31-28-22-24(18-20-26(28)30)16-14-12-10-8-6-4-2/h17-22,29-30H,3-16H2,1-2H3/p-2