potassium 2,5-bis(oxidanyl)-4-pentadecan-2-yl-benzenesulfonate

Systemtic Name: potassium 2,5-bis(oxidanyl)-4-pentadecan-2-yl-benzenesulfonate Openeye Name: potassium 2,5-dihydroxy-4-(1-methyltetradecyl)benzenesulfonate CAS Name: potassium 2,5-dihydroxy-4-pentadecan-2-ylbenzenesulfonate IUPAC Name: potassium 2,5-dihydroxy-4-pentadecan-2-ylbenzenesulfonate Traditional Name: potassium 2,5-dihydroxy-4-(1-methyltetradecyl)besylate Formula: C21H35KO5S MolecularWeight: 438.6629

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C)C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.[K+]

Isomeric SMILES

CCCCCCCCCCCCCC(C)C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.[K+]

InChI

InChI=1S/C21H36O5S.K/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(2)18-15-20(23)21(16-19(18)22)27(24,25)26;/h15-17,22-23H,3-14H2,1-2H3,(H,24,25,26);/q;+1/p-1