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2-[[4-[(S)-methylsulfinyl]-2,6-dinitro-phenyl]amino]ethanoic acid

2-[[4-[(S)-methylsulfinyl]-2,6-dinitro-phenyl]amino]ethanoic acid

Systemtic Name:2-[[4-[(S)-methylsulfinyl]-2,6-dinitro-phenyl]amino]ethanoic acid
Openeye Name:2-[4-[(S)-methylsulfinyl]-2,6-dinitro-anilino]acetic acid
CAS Name:2-[4-[(S)-methylsulfinyl]-2,6-dinitroanilino]acetic acid
IUPAC Name:2-[4-[(S)-methylsulfinyl]-2,6-dinitroanilino]acetic acid
Traditional Name:2-[4-[(S)-methylsulfinyl]-2,6-dinitro-anilino]acetic acid
Formula: C9H9N3O7S
MolecularWeight: 303.24866
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NCC(=O)O)[N+](=O)[O-]


Isomeric SMILES

C[S@](=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NCC(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C9H9N3O7S/c1-20(19)5-2-6(11(15)16)9(10-4-8(13)14)7(3-5)12(17)18/h2-3,10H,4H2,1H3,(H,13,14)/t20-/m0/s1


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