2-methyl-4-(3-methyl-5-nitro-4-oxidanyl-phenyl)sulfanyl-6-nitro-phenol

Systemtic Name: 2-methyl-4-(3-methyl-5-nitro-4-oxidanyl-phenyl)sulfanyl-6-nitro-phenol Openeye Name: 4-(4-hydroxy-3-methyl-5-nitro-phenyl)sulfanyl-2-methyl-6-nitro-phenol CAS Name: 4-[(4-hydroxy-3-methyl-5-nitrophenyl)thio]-2-methyl-6-nitrophenol IUPAC Name: 4-(4-hydroxy-3-methyl-5-nitrophenyl)sulfanyl-2-methyl-6-nitrophenol Traditional Name: 4-[(4-hydroxy-3-methyl-5-nitro-phenyl)thio]-2-methyl-6-nitro-phenol Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O6S/c1-7-3-9(5-11(13(7)17)15(19)20)23-10-4-8(2)14(18)12(6-10)16(21)22/h3-6,17-18H,1-2H3