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

Systemtic Name: 3-[2,6-bis(chloranyl)-3-methyl-phenyl]azanidylsulfonylpropanoate Openeye Name: 3-(2,6-dichloro-3-methyl-phenyl)azanidylsulfonylpropanoate CAS Name: 3-(2,6-dichloro-3-methylphenyl)azanidylsulfonylpropanoate IUPAC Name: 3-(2,6-dichloro-3-methylphenyl)azanidylsulfonylpropanoate Traditional Name: 3-(2,6-dichloro-3-methyl-phenyl)azanidylsulfonylpropionate Formula: C10H9Cl2NO4S-2 MolecularWeight: 310.15376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10Cl2NO4S/c1-6-2-3-7(11)10(9(6)12)13-18(16,17)5-4-8(14)15/h2-3H,4-5H2,1H3,(H,14,15)/q-1/p-1