1-(4-tert-butylphenyl)sulfanyl-4-methylsulfonyl-2-nitro-benzene

Systemtic Name: 1-(4-tert-butylphenyl)sulfanyl-4-methylsulfonyl-2-nitro-benzene Openeye Name: 1-(4-tert-butylphenyl)sulfanyl-4-methylsulfonyl-2-nitro-benzene CAS Name: 1-[(4-tert-butylphenyl)thio]-4-methylsulfonyl-2-nitrobenzene IUPAC Name: 1-(4-tert-butylphenyl)sulfanyl-4-methylsulfonyl-2-nitrobenzene Traditional Name: 1-[(4-tert-butylphenyl)thio]-4-mesyl-2-nitro-benzene Formula: C17H19NO4S2 MolecularWeight: 365.46706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H19NO4S2/c1-17(2,3)12-5-7-13(8-6-12)23-16-10-9-14(24(4,21)22)11-15(16)18(19)20/h5-11H,1-4H3