2-azanyl-3,5-bis(iodanyl)-4-(3-nitrophenyl)sulfonyl-benzoic acid

Systemtic Name: 2-azanyl-3,5-bis(iodanyl)-4-(3-nitrophenyl)sulfonyl-benzoic acid Openeye Name: 2-amino-3,5-diiodo-4-(3-nitrophenyl)sulfonyl-benzoic acid CAS Name: 2-amino-3,5-diiodo-4-(3-nitrophenyl)sulfonylbenzoic acid IUPAC Name: 2-amino-3,5-diiodo-4-(3-nitrophenyl)sulfonylbenzoic acid Traditional Name: 2-amino-3,5-diiodo-4-(3-nitrophenyl)sulfonyl-benzoic acid Formula: C13H8I2N2O6S MolecularWeight: 574.08636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)C2=C(C=C(C(=C2I)N)C(=O)O)I)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)C2=C(C=C(C(=C2I)N)C(=O)O)I)[N+](=O)[O-]

InChI

InChI=1S/C13H8I2N2O6S/c14-9-5-8(13(18)19)11(16)10(15)12(9)24(22,23)7-3-1-2-6(4-7)17(20)21/h1-5H,16H2,(H,18,19)