2-methyl-3-(3-oxidanidylperoxysulfanyl-3-phenyl-propyl)-5-phenyl-1,3-benzoxazol-3-ium

Systemtic Name: 2-methyl-3-(3-oxidanidylperoxysulfanyl-3-phenyl-propyl)-5-phenyl-1,3-benzoxazol-3-ium Openeye Name: 2-methyl-3-(3-oxidoperoxysulfanyl-3-phenyl-propyl)-5-phenyl-1,3-benzoxazol-3-ium CAS Name: 3-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)-1-phenyl-1-propanesulfenic acid IUPAC Name: 2-methyl-3-(3-oxidoperoxysulfanyl-3-phenylpropyl)-5-phenyl-1,3-benzoxazol-3-ium Traditional Name: 2-methyl-3-[3-(oxidoperoxythio)-3-phenyl-propyl]-5-phenyl-1,3-benzoxazol-3-ium Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCC(C4=CC=CC=C4)SOO[O-]

Isomeric SMILES

CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCC(C4=CC=CC=C4)SOO[O-]

InChI

InChI=1S/C23H21NO4S/c1-17-24(15-14-23(29-28-27-25)19-10-6-3-7-11-19)21-16-20(12-13-22(21)26-17)18-8-4-2-5-9-18/h2-13,16,23H,14-15H2,1H3