2-(2-methylpropyl)-4-[3-(2-methylpropyl)-5-nitro-4-oxidanyl-phenyl]sulfanyl-6-nitro-phenol

Systemtic Name: 2-(2-methylpropyl)-4-[3-(2-methylpropyl)-5-nitro-4-oxidanyl-phenyl]sulfanyl-6-nitro-phenol Openeye Name: 4-(4-hydroxy-3-isobutyl-5-nitro-phenyl)sulfanyl-2-isobutyl-6-nitro-phenol CAS Name: 4-[[4-hydroxy-3-(2-methylpropyl)-5-nitrophenyl]thio]-2-(2-methylpropyl)-6-nitrophenol IUPAC Name: 4-[4-hydroxy-3-(2-methylpropyl)-5-nitrophenyl]sulfanyl-2-(2-methylpropyl)-6-nitrophenol Traditional Name: 4-[(4-hydroxy-3-isobutyl-5-nitro-phenyl)thio]-2-isobutyl-6-nitro-phenol Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=CC(=C1O)[N+](=O)[O-])SC2=CC(=C(C(=C2)CC(C)C)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC(=CC(=C1O)[N+](=O)[O-])SC2=CC(=C(C(=C2)CC(C)C)O)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O6S/c1-11(2)5-13-7-15(9-17(19(13)23)21(25)26)29-16-8-14(6-12(3)4)20(24)18(10-16)22(27)28/h7-12,23-24H,5-6H2,1-4H3