5-bromanyl-1-deuterio-3-[(4-methylphenyl)sulfonylmethyl]-2-nitro-benzene

Systemtic Name: 5-bromanyl-1-deuterio-3-[(4-methylphenyl)sulfonylmethyl]-2-nitro-benzene Openeye Name: 5-bromo-1-deuterio-2-nitro-3-(p-tolylsulfonylmethyl)benzene CAS Name: 5-bromo-1-deuterio-3-[(4-methylphenyl)sulfonylmethyl]-2-nitrobenzene IUPAC Name: 5-bromo-1-deuterio-3-[(4-methylphenyl)sulfonylmethyl]-2-nitrobenzene Traditional Name: 5-bromo-1-deuterio-2-nitro-3-(tosylmethyl)benzene Formula: C14H12BrNO4S MolecularWeight: 371.224542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)Br)[N+](=O)[O-]

Isomeric SMILES

[2H]C1=CC(=CC(=C1[N+](=O)[O-])CS(=O)(=O)C2=CC=C(C=C2)C)Br

InChI

InChI=1S/C14H12BrNO4S/c1-10-2-5-13(6-3-10)21(19,20)9-11-8-12(15)4-7-14(11)16(17)18/h2-8H,9H2,1H3/i7D