1-[4-tert-butyl-2,5-bis(oxidanyl)phenyl]octadecane-2-sulfonic acid

Systemtic Name: 1-[4-tert-butyl-2,5-bis(oxidanyl)phenyl]octadecane-2-sulfonic acid Openeye Name: 1-(4-tert-butyl-2,5-dihydroxy-phenyl)octadecane-2-sulfonic acid CAS Name: 1-(4-tert-butyl-2,5-dihydroxyphenyl)-2-octadecanesulfonic acid IUPAC Name: 1-(4-tert-butyl-2,5-dihydroxyphenyl)octadecane-2-sulfonic acid Traditional Name: 1-(4-tert-butyl-2,5-dihydroxy-phenyl)octadecane-2-sulfonic acid Formula: C28H50O5S MolecularWeight: 498.7586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CC1=CC(=C(C=C1O)C(C)(C)C)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC1=CC(=C(C=C1O)C(C)(C)C)O)S(=O)(=O)O

InChI

InChI=1S/C28H50O5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(34(31,32)33)20-23-21-27(30)25(22-26(23)29)28(2,3)4/h21-22,24,29-30H,5-20H2,1-4H3,(H,31,32,33)