4-methyl-2-[3-(trifluoromethyl)nonyl]benzenesulfonic acid

Systemtic Name: 4-methyl-2-[3-(trifluoromethyl)nonyl]benzenesulfonic acid Openeye Name: 4-methyl-2-[3-(trifluoromethyl)nonyl]benzenesulfonic acid CAS Name: 4-methyl-2-[3-(trifluoromethyl)nonyl]benzenesulfonic acid IUPAC Name: 4-methyl-2-[3-(trifluoromethyl)nonyl]benzenesulfonic acid Traditional Name: 4-methyl-2-[3-(trifluoromethyl)nonyl]besylic acid Formula: C17H25F3O3S MolecularWeight: 366.43881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC1=C(C=CC(=C1)C)S(=O)(=O)O)C(F)(F)F

Isomeric SMILES

CCCCCCC(CCC1=C(C=CC(=C1)C)S(=O)(=O)O)C(F)(F)F

InChI

InChI=1S/C17H25F3O3S/c1-3-4-5-6-7-15(17(18,19)20)10-9-14-12-13(2)8-11-16(14)24(21,22)23/h8,11-12,15H,3-7,9-10H2,1-2H3,(H,21,22,23)