phenyl 2,6-bis(2-methylbutan-2-yl)-3-sulfinooxy-benzenesulfonate

Systemtic Name: phenyl 2,6-bis(2-methylbutan-2-yl)-3-sulfinooxy-benzenesulfonate Openeye Name: phenyl 2,6-bis(1,1-dimethylpropyl)-3-sulfinooxy-benzenesulfonate CAS Name: 2,6-bis(2-methylbutan-2-yl)-3-sulfinooxybenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2,6-bis(2-methylbutan-2-yl)-3-sulfinooxybenzenesulfonate Traditional Name: 2,6-ditert-amyl-3-sulfinooxy-benzenesulfonic acid phenyl ester Formula: C22H30O6S2 MolecularWeight: 454.6

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=C(C(=C(C=C1)OS(=O)O)C(C)(C)CC)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C1=C(C(=C(C=C1)OS(=O)O)C(C)(C)CC)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C22H30O6S2/c1-7-21(3,4)17-14-15-18(27-29(23)24)19(22(5,6)8-2)20(17)30(25,26)28-16-12-10-9-11-13-16/h9-15H,7-8H2,1-6H3,(H,23,24)