[5-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-2-nitro-phenyl] N-methylcarbamate

Systemtic Name: [5-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-2-nitro-phenyl] N-methylcarbamate Openeye Name: [5-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-2-nitro-phenyl] N-methylcarbamate CAS Name: N-methylcarbamic acid [5-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-2-nitrophenyl] ester IUPAC Name: [5-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2-nitrophenyl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [5-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-2-nitro-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(=C(C=C2)[N+](=O)[O-])OC(=O)NC

Isomeric SMILES

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

InChI

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