(2-oxidanylidene-1,2-diphenyl-ethyl) 2,3,4,5,6-pentakis-decylbenzenesulfonate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 2,3,4,5,6-pentakis-decylbenzenesulfonate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) 2,3,4,5,6-pentakis-decylbenzenesulfonate CAS Name: 2,3,4,5,6-pentakis-decylbenzenesulfonic acid (2-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 2,3,4,5,6-pentakis-decylbenzenesulfonate Traditional Name: 2,3,4,5,6-pentakis-decylbenzenesulfonic acid desyl ester Formula: C70H116O4S MolecularWeight: 1053.73264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=C(C(=C1CCCCCCCCCC)CCCCCCCCCC)S(=O)(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)CCCCCCCCCC)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=C(C(=C(C(=C1CCCCCCCCCC)CCCCCCCCCC)S(=O)(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)CCCCCCCCCC)CCCCCCCCCC

InChI

InChI=1S/C70H116O4S/c1-6-11-16-21-26-31-36-47-56-63-64(57-48-37-32-27-22-17-12-7-2)66(59-50-39-34-29-24-19-14-9-4)70(75(72,73)74-69(62-54-45-42-46-55-62)68(71)61-52-43-41-44-53-61)67(60-51-40-35-30-25-20-15-10-5)65(63)58-49-38-33-28-23-18-13-8-3/h41-46,52-55,69H,6-40,47-51,56-60H2,1-5H3