[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylphenyl] N-methyl-N-nitro-carbamate

Systemtic Name: [3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylphenyl] N-methyl-N-nitro-carbamate Openeye Name: [3-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylphenyl] N-methyl-N-nitro-carbamate CAS Name: N-methyl-N-nitrocarbamic acid [3-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]phenyl] ester IUPAC Name: [3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylphenyl] N-methyl-N-nitrocarbamate Traditional Name: N-methyl-N-nitro-carbamic acid [3-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]phenyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2=CC=CC(=C2)OC(=O)N(C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2=CC=CC(=C2)OC(=O)N(C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N2O5S/c1-21(2,3)17-12-16(13-18(19(17)25)22(4,5)6)30-15-10-8-9-14(11-15)29-20(26)23(7)24(27)28/h8-13,25H,1-7H3