potassium 3-octadecyl-1,4-bis(oxidanyl)cyclohexa-2,5-diene-1-sulfonic acid

Systemtic Name: potassium 3-octadecyl-1,4-bis(oxidanyl)cyclohexa-2,5-diene-1-sulfonic acid Openeye Name: potassium 1,4-dihydroxy-3-octadecyl-cyclohexa-2,5-diene-1-sulfonic acid CAS Name: potassium 1,4-dihydroxy-3-octadecyl-1-cyclohexa-2,5-dienesulfonic acid IUPAC Name: potassium 1,4-dihydroxy-3-octadecylcyclohexa-2,5-diene-1-sulfonic acid Traditional Name: potassium 1,4-dihydroxy-3-stearyl-cyclohexa-2,5-diene-1-sulfonic acid Formula: C24H44KO5S+ MolecularWeight: 483.76646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC(C=CC1O)(O)S(=O)(=O)O.[K+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC(C=CC1O)(O)S(=O)(=O)O.[K+]

InChI

InChI=1S/C24H44O5S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-21-24(26,30(27,28)29)20-19-23(22)25;/h19-21,23,25-26H,2-18H2,1H3,(H,27,28,29);/q;+1