2-tert-butylsulfanyl-5-nitro-benzaldehyde

Systemtic Name: 2-tert-butylsulfanyl-5-nitro-benzaldehyde Openeye Name: 2-tert-butylsulfanyl-5-nitro-benzaldehyde CAS Name: 2-(tert-butylthio)-5-nitrobenzaldehyde IUPAC Name: 2-tert-butylsulfanyl-5-nitrobenzaldehyde Traditional Name: 2-(tert-butylthio)-5-nitro-benzaldehyde Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(C=C(C=C1)[N+](=O)[O-])C=O

Isomeric SMILES

CC(C)(C)SC1=C(C=C(C=C1)[N+](=O)[O-])C=O

InChI

InChI=1S/C11H13NO3S/c1-11(2,3)16-10-5-4-9(12(14)15)6-8(10)7-13/h4-7H,1-3H3