1-[2,5-bis(oxidanyl)phenyl]pentadecane-2-sulfonic acid

Systemtic Name: 1-[2,5-bis(oxidanyl)phenyl]pentadecane-2-sulfonic acid Openeye Name: 1-(2,5-dihydroxyphenyl)pentadecane-2-sulfonic acid CAS Name: 1-(2,5-dihydroxyphenyl)-2-pentadecanesulfonic acid IUPAC Name: 1-(2,5-dihydroxyphenyl)pentadecane-2-sulfonic acid Traditional Name: 1-(2,5-dihydroxyphenyl)pentadecane-2-sulfonic acid Formula: C21H36O5S MolecularWeight: 400.57254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC1=C(C=CC(=C1)O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(CC1=C(C=CC(=C1)O)O)S(=O)(=O)O

InChI

InChI=1S/C21H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(27(24,25)26)17-18-16-19(22)14-15-21(18)23/h14-16,20,22-23H,2-13,17H2,1H3,(H,24,25,26)