2-octadecyl-3,6-bis(oxidanyl)benzenesulfonate

Systemtic Name: 2-octadecyl-3,6-bis(oxidanyl)benzenesulfonate Openeye Name: 3,6-dihydroxy-2-octadecyl-benzenesulfonate CAS Name: 3,6-dihydroxy-2-octadecylbenzenesulfonate IUPAC Name: 3,6-dihydroxy-2-octadecylbenzenesulfonate Traditional Name: 3,6-dihydroxy-2-stearyl-besylate Formula: C24H41O5S- MolecularWeight: 441.64434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1S(=O)(=O)[O-])O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1S(=O)(=O)[O-])O)O

InChI

InChI=1S/C24H42O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(25)19-20-23(26)24(21)30(27,28)29/h19-20,25-26H,2-18H2,1H3,(H,27,28,29)/p-1