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

Systemtic Name: [4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3-nitro-phenyl]-oxidanidyl-sulfanylidene-azanium Openeye Name: [4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-3-nitro-phenyl]-oxido-thioxo-ammonium CAS Name: [4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-nitrophenyl]-oxido-sulfanylideneammonium IUPAC Name: [4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-nitrophenyl]-oxido-sulfanylideneazanium Traditional Name: [4-(3,5-ditert-butyl-4-hydroxy-benzyl)-3-nitro-phenyl]-oxido-thioxo-ammonium Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-20(2,3)16-10-13(11-17(19(16)24)21(4,5)6)9-14-7-8-15(23(27)28)12-18(14)22(25)26/h7-8,10-12,24H,9H2,1-6H3