[3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]phenyl]-oxidanidyl-sulfinyl-azanium

Systemtic Name: [3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]phenyl]-oxidanidyl-sulfinyl-azanium Openeye Name: [3-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]phenyl]-oxido-sulfinyl-ammonium CAS Name: [3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]-oxido-sulfinylammonium IUPAC Name: [3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]-oxido-sulfinylazanium Traditional Name: [3-(3,5-ditert-butyl-4-hydroxy-benzyl)phenyl]-oxido-sulfinyl-ammonium Formula: C21H27NO3S MolecularWeight: 373.50898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=CC(=CC=C2)[N+](=S=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=CC(=CC=C2)[N+](=S=O)[O-]

InChI

InChI=1S/C21H27NO3S/c1-20(2,3)17-12-15(13-18(19(17)23)21(4,5)6)10-14-8-7-9-16(11-14)22(24)26-25/h7-9,11-13,23H,10H2,1-6H3