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75D

Summary
Name:2,4,6-tri(propan-2-yl)benzenesulfonic acid
Synonyms:2,4,6-triisopropylbenzenesulfonic acid
Formula:C15 H24 O3 S
Formal charge:0
Formula weight:284.414 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,4,6-tri(propan-2-yl)benzenesulfonic acid
OpenEye OEToolkits1.7.62,4,6-tri(propan-2-yl)benzenesulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
InChIInChI1.03InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)
InChIKeyInChI1.03YHGKEORTCHVBQH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)c1cc(C(C)C)c(c(c1)C(C)C)[S](O)(=O)=O
SMILESCACTVS3.385CC(C)c1cc(C(C)C)c(c(c1)C(C)C)[S](O)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)O)C(C)C
SMILESOpenEye OEToolkits1.7.6CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)O)C(C)C

222415

PDB entries from 2024-07-10

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