2-[(4-iodanyl-2-methyl-phenyl)amino]-4-nitro-benzenesulfonic acid

Systemtic Name: 2-[(4-iodanyl-2-methyl-phenyl)amino]-4-nitro-benzenesulfonic acid Openeye Name: 2-(4-iodo-2-methyl-anilino)-4-nitro-benzenesulfonic acid CAS Name: 2-(4-iodo-2-methylanilino)-4-nitrobenzenesulfonic acid IUPAC Name: 2-(4-iodo-2-methylanilino)-4-nitrobenzenesulfonic acid Traditional Name: 2-(4-iodo-2-methyl-anilino)-4-nitro-besylic acid Formula: C13H11IN2O5S MolecularWeight: 434.20631

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C=CC(=C2)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C=CC(=C2)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C13H11IN2O5S/c1-8-6-9(14)2-4-11(8)15-12-7-10(16(17)18)3-5-13(12)22(19,20)21/h2-7,15H,1H3,(H,19,20,21)