6-fluoranyl-4-methyl-1-octyl-cyclohexa-2,4-diene-1-sulfonic acid

Systemtic Name: 6-fluoranyl-4-methyl-1-octyl-cyclohexa-2,4-diene-1-sulfonic acid Openeye Name: 6-fluoro-4-methyl-1-octyl-cyclohexa-2,4-diene-1-sulfonic acid CAS Name: 6-fluoro-4-methyl-1-octyl-1-cyclohexa-2,4-dienesulfonic acid IUPAC Name: 6-fluoro-4-methyl-1-octylcyclohexa-2,4-diene-1-sulfonic acid Traditional Name: 6-fluoro-4-methyl-1-octyl-cyclohexa-2,4-diene-1-sulfonic acid Formula: C15H25FO3S MolecularWeight: 304.420603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C=CC(=CC1F)C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC1(C=CC(=CC1F)C)S(=O)(=O)O

InChI

InChI=1S/C15H25FO3S/c1-3-4-5-6-7-8-10-15(20(17,18)19)11-9-13(2)12-14(15)16/h9,11-12,14H,3-8,10H2,1-2H3,(H,17,18,19)