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4-methyl-2,6-diphenyl-3,5-bis(trifluoromethyl)benzenesulfonic acid

4-methyl-2,6-diphenyl-3,5-bis(trifluoromethyl)benzenesulfonic acid

Systemtic Name:4-methyl-2,6-diphenyl-3,5-bis(trifluoromethyl)benzenesulfonic acid
Openeye Name:4-methyl-2,6-diphenyl-3,5-bis(trifluoromethyl)benzenesulfonic acid
CAS Name:4-methyl-2,6-diphenyl-3,5-bis(trifluoromethyl)benzenesulfonic acid
IUPAC Name:4-methyl-2,6-diphenyl-3,5-bis(trifluoromethyl)benzenesulfonic acid
Traditional Name:4-methyl-2,6-diphenyl-3,5-bis(trifluoromethyl)besylic acid
Formula: C21H14F6O3S
MolecularWeight: 460.389479
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C(F)(F)F)C2=CC=CC=C2)S(=O)(=O)O)C3=CC=CC=C3)C(F)(F)F


Isomeric SMILES

CC1=C(C(=C(C(=C1C(F)(F)F)C2=CC=CC=C2)S(=O)(=O)O)C3=CC=CC=C3)C(F)(F)F


InChI

InChI=1S/C21H14F6O3S/c1-12-17(20(22,23)24)15(13-8-4-2-5-9-13)19(31(28,29)30)16(18(12)21(25,26)27)14-10-6-3-7-11-14/h2-11H,1H3,(H,28,29,30)


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