2,6-bis(2-methylpropyl)-3-nitro-benzenethiol

Systemtic Name: 2,6-bis(2-methylpropyl)-3-nitro-benzenethiol Openeye Name: 2,6-diisobutyl-3-nitro-benzenethiol CAS Name: 2,6-bis(2-methylpropyl)-3-nitrobenzenethiol IUPAC Name: 2,6-bis(2-methylpropyl)-3-nitrobenzenethiol Traditional Name: 2,6-diisobutyl-3-nitro-benzenethiol Formula: C14H21NO2S MolecularWeight: 267.38704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=C(C=C1)[N+](=O)[O-])CC(C)C)S

Isomeric SMILES

CC(C)CC1=C(C(=C(C=C1)[N+](=O)[O-])CC(C)C)S

InChI

InChI=1S/C14H21NO2S/c1-9(2)7-11-5-6-13(15(16)17)12(14(11)18)8-10(3)4/h5-6,9-10,18H,7-8H2,1-4H3