3-[2,6-bis(bromanyl)-4-methyl-phenyl]azanidylsulfonylpropanoate

Systemtic Name: 3-[2,6-bis(bromanyl)-4-methyl-phenyl]azanidylsulfonylpropanoate Openeye Name: 3-(2,6-dibromo-4-methyl-phenyl)azanidylsulfonylpropanoate CAS Name: 3-(2,6-dibromo-4-methylphenyl)azanidylsulfonylpropanoate IUPAC Name: 3-(2,6-dibromo-4-methylphenyl)azanidylsulfonylpropanoate Traditional Name: 3-(2,6-dibromo-4-methyl-phenyl)azanidylsulfonylpropionate Formula: C10H9Br2NO4S-2 MolecularWeight: 399.05576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10Br2NO4S/c1-6-4-7(11)10(8(12)5-6)13-18(16,17)3-2-9(14)15/h4-5H,2-3H2,1H3,(H,14,15)/q-1/p-1