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3-azanyl-2,4-bis(iodanyl)-6-[(4-sulfophenyl)amino]benzenesulfonic acid

3-azanyl-2,4-bis(iodanyl)-6-[(4-sulfophenyl)amino]benzenesulfonic acid

Systemtic Name:3-azanyl-2,4-bis(iodanyl)-6-[(4-sulfophenyl)amino]benzenesulfonic acid
Openeye Name:3-amino-2,4-diiodo-6-(4-sulfoanilino)benzenesulfonic acid
CAS Name:3-amino-2,4-diiodo-6-(4-sulfoanilino)benzenesulfonic acid
IUPAC Name:3-amino-2,4-diiodo-6-(4-sulfoanilino)benzenesulfonic acid
Traditional Name:3-amino-2,4-diiodo-6-(4-sulfoanilino)besylic acid
Formula: C12H10I2N2O6S2
MolecularWeight: 596.15654
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=CC(=C(C(=C2S(=O)(=O)O)I)N)I)S(=O)(=O)O


Isomeric SMILES

C1=CC(=CC=C1NC2=CC(=C(C(=C2S(=O)(=O)O)I)N)I)S(=O)(=O)O


InChI

InChI=1S/C12H10I2N2O6S2/c13-8-5-9(12(24(20,21)22)10(14)11(8)15)16-6-1-3-7(4-2-6)23(17,18)19/h1-5,16H,15H2,(H,17,18,19)(H,20,21,22)


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